KNApSAcK Metabolite C00003699
Metabolite
KNApSAcK Entry
| id | C00003699 |
|---|---|
| Name | Bruceantin |
| CAS RN | 41451-75-6 |
| Standard InChI | InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 2130 |
Link
ChEMBL
| By standard InChI | CHEMBL509895 |
|---|---|
| By standard InChI Main Layer | CHEMBL509895 CHEMBL1700569 |
KEGG
| By LinkDB | C08749 |
|---|
CTD
| By CAS RN | C002550 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Simaroubaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Brucea antidysenterica | 459111 | Simaroubaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
12 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL509895 |
CHEMBL827154
(1)
|
1 / 0 |
| Q99700 | Ataxin-2 | Unclassified protein | CHEMBL1700569 |
CHEMBL2114784
(1)
|
1 / 1 |
| P49798 | Regulator of G-protein signaling 4 | Unclassified protein | CHEMBL1700569 |
CHEMBL1794499
(1)
|
2 / 0 |
| P37840 | Alpha-synuclein | Unclassified protein | CHEMBL1700569 |
CHEMBL2354282
(1)
|
4 / 2 |
| O75496 | Geminin | Unclassified protein | CHEMBL1700569 |
CHEMBL2114780
(1)
|
0 / 0 |
| P11308 | Transcriptional regulator ERG | Unclassified protein | CHEMBL1700569 |
CHEMBL2114924
(1)
|
1 / 2 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL1700569 |
CHEMBL1794401
(1)
|
0 / 0 |
| Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | CHEMBL1700569 |
CHEMBL1738184
(1)
|
0 / 0 |
| P05412 | Transcription factor AP-1 | Transcription Factor | CHEMBL509895 |
CHEMBL1061338
(1)
|
0 / 0 |
| O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | Enzyme | CHEMBL1700569 |
CHEMBL2354311
(1)
|
1 / 0 |
| Q06710 | Paired box protein Pax-8 | Unclassified protein | CHEMBL1700569 |
CHEMBL2354301
(1)
|
1 / 2 |
| Q13148 | TAR DNA-binding protein 43 | Unclassified protein | CHEMBL1700569 |
CHEMBL2354287
(1)
|
1 / 1 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (12)
| OMIM | preferred title | UniProt |
|---|---|---|
| #612069 | Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 |
Q13148
|
| #127750 | Dementia, lewy body; dlb |
P37840
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #612219 | Ewing sarcoma; es |
P11308
|
| #137800 | Glioma susceptibility 1; glm1 |
O75874
|
| #218700 | Hypothyroidism, congenital, nongoitrous, 2; chng2 |
Q06710
|
| #168601 | Parkinson disease 1, autosomal dominant; park1 |
P37840
|
| #605543 | Parkinson disease 4, autosomal dominant; park4 |
P37840
|
| #168600 | Parkinson disease, late-onset; pd |
P37840
|
| #604906 | Schizophrenia 9; sczd9 |
P49798
|
| #181500 | Schizophrenia; sczd |
P49798
|
| #183090 | Spinocerebellar ataxia 2; sca2 |
Q99700
|
KEGG DISEASE (8)
| KEGG | disease name | UniProt |
|---|---|---|
| H00024 | Prostate cancer |
P11308
(related)
|
| H00035 | Ewing's sarcoma |
P11308
(related)
|
| H00057 | Parkinson's disease (PD) |
P37840
(related)
|
| H00066 | Lewy body dementia (LBD) |
P37840
(related)
|
| H00032 | Thyroid cancer |
Q06710
(related)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
Q06710
(related)
|
| H00058 | Amyotrophic lateral sclerosis (ALS) |
Q13148
(related)
|
| H00063 | Spinocerebellar ataxia (SCA) |
Q99700
(related)
|