id | C00001695 |
---|---|
Name | Brucine |
CAS RN | 357-57-3 |
Standard InChI | InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1 |
Standard InChI (Main Layer) | InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3 |
Phytochemical cluster | No. 4 |
---|---|
KCF-S cluster | No. 672 |
By standard InChI | CHEMBL501756 |
---|---|
By standard InChI Main Layer | CHEMBL501756 CHEMBL1333042 CHEMBL1515857 CHEMBL1573549 CHEMBL2361237 |
By LinkDB | C09084 |
---|
By CAS RN | C083806 |
---|
class name | count |
---|---|
asterids | 5 |
family name | count |
---|---|
Loganiaceae | 5 |
KNApSAcK organism | *ID | *family | *plant class | *kingdom |
---|---|---|---|---|
Strychnos aculeata | 1040854 | Loganiaceae | asterids | Viridiplantae |
Strychnos ignatii | 1037790 | Loganiaceae | asterids | Viridiplantae |
Strychnos ligustrina | 26496 | Loganiaceae | asterids | Viridiplantae |
Strychnos lucida | 403120 | Loganiaceae | asterids | Viridiplantae |
Strychnos nux-vomica | 28545 | Loganiaceae | asterids | Viridiplantae |
accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
---|---|---|---|---|---|
Q16637 | Survival motor neuron protein | Unclassified protein | CHEMBL501756 |
CHEMBL1613842
(1)
|
4 / 2 |
P02545 | Prelamin-A/C | Unclassified protein | CHEMBL1333042 |
CHEMBL1614544
(1)
|
11 / 10 |
P08912 | Muscarinic acetylcholine receptor M5 | Acetylcholine receptor | CHEMBL501756 |
CHEMBL747126
(1)
CHEMBL747127
(1)
CHEMBL747133 (1) CHEMBL747134 (1) |
0 / 0 |
O75496 | Geminin | Unclassified protein | CHEMBL501756 |
CHEMBL2114843
(1)
CHEMBL2114780
(1)
|
0 / 0 |
P08172 | Muscarinic acetylcholine receptor M2 | Acetylcholine receptor | CHEMBL501756 |
CHEMBL747609
(1)
CHEMBL747610
(1)
CHEMBL747612 (1) CHEMBL749034 (1) |
2 / 0 |
P11229 | Muscarinic acetylcholine receptor M1 | Acetylcholine receptor | CHEMBL501756 |
CHEMBL750973
(1)
CHEMBL750974
(1)
CHEMBL752217 (1) CHEMBL752218 (1) CHEMBL2215470 (1) CHEMBL2215472 (1) CHEMBL2215473 (1) |
0 / 0 |
P20309 | Muscarinic acetylcholine receptor M3 | Acetylcholine receptor | CHEMBL501756 |
CHEMBL745523
(1)
CHEMBL745524
(1)
CHEMBL744392 (1) CHEMBL744393 (1) |
1 / 0 |
Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 | Enzyme | CHEMBL1515857 |
CHEMBL1613910
(1)
|
3 / 3 |
P08173 | Muscarinic acetylcholine receptor M4 | Acetylcholine receptor | CHEMBL501756 |
CHEMBL744003
(1)
CHEMBL744004
(1)
CHEMBL744006 (1) CHEMBL744007 (1) |
0 / 0 |
O00255 | Menin | Unclassified protein | CHEMBL1333042 CHEMBL1515857 |
CHEMBL1614257
(1)
CHEMBL1614531
(1)
|
2 / 5 |
Q03164 | Histone-lysine N-methyltransferase 2A | Enzyme | CHEMBL1333042 CHEMBL1515857 |
CHEMBL1614257
(1)
CHEMBL1614531
(1)
|
1 / 3 |
compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
---|---|---|---|---|---|---|---|
C083806 | 581 |
BAX
BCL2L4 |
BCL2-associated X protein | brucine results in increased expression of BAX protein |
increases expression
|
protein |
16443926
|
C083806 | 596 |
BCL2
Bcl-2 PPP1R50 |
B-cell CLL/lymphoma 2 | brucine results in decreased expression of BCL2 protein |
decreases expression
|
protein |
16443926
|
C083806 | 836 |
CASP3
CPP32 CPP32B SCA-1 |
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) | brucine results in increased activity of CASP3 protein |
increases activity
|
protein |
17449162
21684292 |
C083806 | 836 |
CASP3
CPP32 CPP32B SCA-1 |
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) | [brucine results in increased activity of CASP9 protein] which results in increased activity of CASP3 protein |
increases activity
|
protein |
16443926
|
C083806 | 836 |
CASP3
CPP32 CPP32B SCA-1 |
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) | brucine results in increased expression of and results in increased activity of CASP3 protein |
increases activity
/ increases expression |
protein |
16442763
|
C083806 | 836 |
CASP3
CPP32 CPP32B SCA-1 |
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) | Cyclosporine inhibits the reaction [[brucine results in increased activity of CASP9 protein] which results in increased activity of CASP3 protein] |
decreases reaction
/ increases activity |
protein |
16443926
|
C083806 | 842 |
CASP9
APAF-3 APAF3 ICE-LAP6 MCH6 PPP1R56 |
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) | brucine results in increased activity of and results in increased cleavage of CASP9 protein |
increases activity
/ increases cleavage |
protein |
16443926
|
C083806 | 842 |
CASP9
APAF-3 APAF3 ICE-LAP6 MCH6 PPP1R56 |
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) | brucine results in increased activity of CASP9 protein |
increases activity
|
protein |
21684292
|
C083806 | 842 |
CASP9
APAF-3 APAF3 ICE-LAP6 MCH6 PPP1R56 |
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) | [brucine results in increased activity of CASP9 protein] which results in increased activity of CASP3 protein |
increases activity
|
protein |
16443926
|
C083806 | 842 |
CASP9
APAF-3 APAF3 ICE-LAP6 MCH6 PPP1R56 |
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) | Cyclosporine inhibits the reaction [brucine results in increased activity of and results in increased cleavage of CASP9 protein] |
decreases reaction
/ increases activity / increases cleavage |
protein |
16443926
|
C083806 | 842 |
CASP9
APAF-3 APAF3 ICE-LAP6 MCH6 PPP1R56 |
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) | Cyclosporine inhibits the reaction [[brucine results in increased activity of CASP9 protein] which results in increased activity of CASP3 protein] |
decreases reaction
/ increases activity |
protein |
16443926
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine affects the reaction [muscarinic toxin 7 binds to CHRM1 protein] |
affects binding
/ affects reaction |
protein |
16439611
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine affects the reaction [Pirenzepine analog binds to CHRM1 protein] |
affects binding
/ affects reaction |
protein |
15294002
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine analog affects the reaction [Acetylcholine binds to CHRM1 protein] |
affects binding
/ affects reaction |
protein |
10069518
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine analog affects the reaction [N-Methylscopolamine binds to CHRM1 protein] |
affects binding
/ affects reaction |
protein |
10069518
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine promotes the reaction [(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride binds to CHRM1 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine promotes the reaction [5-methylfurtrethonium binds to CHRM1 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine promotes the reaction [Acetylcholine binds to CHRM1 protein] |
affects binding
/ increases reaction |
protein |
9224827
9495826 |
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine promotes the reaction [Acetylcholine results in increased activity of CHRM1 protein] |
increases activity
/ increases reaction |
protein |
10101037
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine promotes the reaction [Bethanechol binds to CHRM1 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine promotes the reaction [Carbachol binds to CHRM1 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine promotes the reaction [furtrethonium binds to CHRM1 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine promotes the reaction [oxotremorine M binds to CHRM1 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine promotes the reaction [Pilocarpine binds to CHRM1 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | Quinuclidinyl Benzilate inhibits the reaction [brucine promotes the reaction [Acetylcholine results in increased activity of CHRM1 protein]] |
decreases reaction
/ increases activity / increases reaction |
protein |
10101037
|
C083806 | 1129 |
CHRM2
HM2 |
cholinergic receptor, muscarinic 2 | brucine analog affects the reaction [Acetylcholine binds to CHRM2 protein] |
affects binding
/ affects reaction |
protein |
10069518
|
C083806 | 1129 |
CHRM2
HM2 |
cholinergic receptor, muscarinic 2 | brucine analog affects the reaction [N-Methylscopolamine binds to CHRM2 protein] |
affects binding
/ affects reaction |
protein |
10069518
|
C083806 | 1129 |
CHRM2
HM2 |
cholinergic receptor, muscarinic 2 | brucine binds to CHRM2 protein |
affects binding
|
protein |
15647330
|
C083806 | 1129 |
CHRM2
HM2 |
cholinergic receptor, muscarinic 2 | brucine promotes the reaction [N-Methylscopolamine binds to CHRM2 protein] |
affects binding
/ increases reaction |
protein |
9495826
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine analog affects the reaction [Acetylcholine binds to CHRM3 protein] |
affects binding
/ affects reaction |
protein |
10069518
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine analog affects the reaction [N-Methylscopolamine binds to CHRM3 protein] |
affects binding
/ affects reaction |
protein |
10069518
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine binds to and results in increased activity of CHRM3 protein mutant form |
affects binding
/ increases activity |
protein |
20466821
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine binds to CHRM3 protein |
affects binding
|
protein |
15647330
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine promotes the reaction [(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride binds to CHRM3 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine promotes the reaction [5-methylfurtrethonium binds to CHRM3 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine promotes the reaction [Acetylcholine binds to CHRM3 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine promotes the reaction [Arecoline binds to CHRM3 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine promotes the reaction [Bethanechol binds to CHRM3 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine promotes the reaction [Carbachol binds to CHRM3 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine promotes the reaction [Carbachol results in increased activity of CHRM3 protein mutant form] |
increases activity
/ increases reaction |
protein |
20466821
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine promotes the reaction [furtrethonium binds to CHRM3 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine promotes the reaction [oxotremorine M binds to CHRM3 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine promotes the reaction [Pilocarpine binds to CHRM3 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine analog affects the reaction [Acetylcholine binds to CHRM4 protein] |
affects binding
/ affects reaction |
protein |
10069518
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine analog affects the reaction [N-Methylscopolamine binds to CHRM4 protein] |
affects binding
/ affects reaction |
protein |
10069518
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine binds to CHRM4 protein |
affects binding
|
protein |
16709648
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine promotes the reaction [(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride binds to CHRM4 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine promotes the reaction [5-methylfurtrethonium binds to CHRM4 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine promotes the reaction [Bethanechol binds to CHRM4 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine promotes the reaction [Carbachol binds to CHRM4 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine promotes the reaction [furtrethonium binds to CHRM4 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine promotes the reaction [oxotremorine M binds to CHRM4 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine promotes the reaction [Pilocarpine binds to CHRM4 protein] |
affects binding
/ increases reaction |
protein |
9224827
|
C083806 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | WIN 62577 inhibits the reaction [brucine binds to CHRM4 protein] |
affects binding
/ decreases reaction |
protein |
16709648
|
C083806 | 2741 |
GLRA1
HKPX1 STHE |
glycine receptor, alpha 1 | brucine analog binds to and results in decreased activity of GLRA1 protein |
affects binding
/ decreases activity |
protein |
16687139
|
C083806 | 2741 |
GLRA1
HKPX1 STHE |
glycine receptor, alpha 1 | brucine binds to and results in decreased activity of GLRA1 protein |
affects binding
/ decreases activity |
protein |
15081878
16687139 |
C083806 | 5743 |
PTGS2
COX-2 COX2 GRIPGHS PGG/HS PGHS-2 PHS-2 hCox-2 |
prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) (EC:1.14.99.1) | brucine results in decreased expression of PTGS2 protein |
decreases expression
|
protein |
16442763
17449162 |
C083806 | 7124 |
TNF
DIF TNF-alpha TNFA TNFSF2 |
tumor necrosis factor | brucine results in decreased secretion of TNF protein |
decreases secretion
|
protein |
21684292
|
OMIM | preferred title | UniProt |
---|---|---|
#300438 | 17-beta-hydroxysteroid dehydrogenase x deficiency |
Q99714
|
#100100 | Abdominal muscles, absence of, with urinary tract abnormality and cryptorchidism |
P20309
|
#103780 | Alcohol dependence |
P08172
|
#115200 | Cardiomyopathy, dilated, 1a; cmd1a |
P02545
|
#212112 | Cardiomyopathy, dilated, with hypergonadotropic hypogonadism |
P02545
|
#605588 | Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 |
P02545
|
#181350 | Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 |
P02545
|
#605130 | Hairy elbows, short stature, facial dysmorphism, and developmental delay |
Q03164
|
#610140 | Heart-hand syndrome, slovenian type |
P02545
|
#176670 | Hutchinson-gilford progeria syndrome; hgps |
P02545
|
#145000 | Hyperparathyroidism 1; hrpt1 |
O00255
|
#151660 | Lipodystrophy, familial partial, type 2; fpld2 |
P02545
|
#608516 | Major depressive disorder; mdd |
P08172
|
#248370 | Mandibuloacral dysplasia with type a lipodystrophy; mada |
P02545
|
#300705 | Mental retardation, x-linked 17; mrx17 |
Q99714
|
#300220 | Mental retardation, x-linked, syndromic 10; mrxs10 |
Q99714
|
#131100 | Multiple endocrine neoplasia, type i; men1 |
O00255
|
#613205 | Muscular dystrophy, congenital, lmna-related |
P02545
|
#159001 | Muscular dystrophy, limb-girdle, type 1b; lgmd1b |
P02545
|
#275210 | Restrictive dermopathy, lethal |
P02545
|
#253300 | Spinal muscular atrophy, type i; sma1 |
Q16637
|
#253550 | Spinal muscular atrophy, type ii; sma2 |
Q16637
|
#253400 | Spinal muscular atrophy, type iii; sma3 |
Q16637
|
#271150 | Spinal muscular atrophy, type iv; sma4 |
Q16637
|
KEGG | disease name | UniProt |
---|---|---|
H00033 | Adrenal carcinoma |
O00255
(related)
|
H00034 | Carcinoid |
O00255
(related)
|
H00045 | Malignant islet cell carcinoma |
O00255
(related)
|
H00246 | Primary hyperparathyroidism |
O00255
(related)
|
H01102 | Pituitary adenomas |
O00255
(related)
|
H00264 | Charcot-Marie-Tooth disease (CMT) |
P02545
(related)
|
H00294 | Dilated cardiomyopathy (DCM) |
P02545
(related)
|
H00420 | Familial partial lipodystrophy (FPL) |
P02545
(related)
|
H00563 | Emery-Dreifuss muscular dystrophy |
P02545
(related)
|
H00590 | Congenital muscular dystrophies (CMD/MDC) |
P02545
(related)
|
H00593 | Limb-girdle muscular dystrophy (LGMD) |
P02545
(related)
|
H00601 | Hutchinson-Gilford progeria syndrome |
P02545
(related)
|
H00663 | Restrictive dermopathy |
P02545
(related)
|
H00665 | Mandibuloacral dysplasia |
P02545
(related)
|
H01216 | Left ventricular noncompaction (LVNC) |
P02545
(related)
|
H00001 | Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) |
Q03164
(related)
Q03164 (marker) |
H00002 | Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) |
Q03164
(related)
|
H00455 | Spinal muscular atrophy (SMA) |
Q16637
(related)
Q16637 (related) |
H00480 | Non-syndromic X-linked mental retardation |
Q99714
(related)
|
H00658 | Syndromic X-linked mental retardation |
Q99714
(related)
|
H00925 | 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency |
Q99714
(related)
|
MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
---|---|---|---|---|---|
D058186 | C083806 | Acute Kidney Injury |
marker/mechanism
|
19694317
|
|
D000741 | C083806 | Anemia, Aplastic |
therapeutic
|
21518503
|
|
D002294 | C083806 | Carcinoma, Squamous Cell |
therapeutic
|
20485822
|
|
D002493 | C083806 | Central Nervous System Diseases |
marker/mechanism
|
21780866
|
|
D008113 | C083806 | Liver Neoplasms |
therapeutic
|
21761723
|
|
D009101 | C083806 | Multiple Myeloma |
therapeutic
|
21518496
|
|
D009374 | C083806 | Neoplasms, Experimental |
therapeutic
|
21684292
|
|
D012206 | C083806 | Rhabdomyolysis |
marker/mechanism
|
19694317
|