KNApSAcK Metabolite C00047753
Metabolite
KNApSAcK Entry
| id | C00047753 |
|---|---|
| Name | Bergamottin |
| CAS RN | 7380-40-7 |
| Standard InChI | InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ |
| Standard InChI (Main Layer) | InChI=1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1664 |
Link
ChEMBL
| By standard InChI | CHEMBL1078442 |
|---|---|
| By standard InChI Main Layer | CHEMBL1078442 CHEMBL1571785 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C068337 |
|---|
Species
Summary
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Citrus paradisi | 37656 | Rutaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
26 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL1078442 |
CHEMBL1614110
(1)
|
1 / 0 |
| O94956 | Solute carrier organic anion transporter family member 2B1 | Unclassified protein | CHEMBL1078442 |
CHEMBL2076048
(1)
CHEMBL2076049
(1)
|
0 / 0 |
| P04062 | Glucosylceramidase | Enzyme | CHEMBL1571785 |
CHEMBL1613818
(1)
|
6 / 4 |
| Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Enzyme | CHEMBL1078442 |
CHEMBL1794585
(1)
|
0 / 0 |
| P20813 | Cytochrome P450 2B6 | Cytochrome P450 2B6 | CHEMBL1078442 |
CHEMBL1743500
(1)
CHEMBL1743370
(2)
|
1 / 0 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL1078442 |
CHEMBL1614281
(1)
CHEMBL1614361
(1)
|
3 / 2 |
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL1078442 |
CHEMBL2077114
(1)
CHEMBL2077290
(1)
CHEMBL2077313 (1) CHEMBL2078579 (1) |
1 / 0 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1078442 |
CHEMBL1614027
(1)
|
0 / 1 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL1571785 |
CHEMBL1614458
(1)
|
0 / 0 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL1078442 |
CHEMBL1794401
(1)
|
0 / 0 |
| P28482 | Mitogen-activated protein kinase 1 | Erk | CHEMBL1571785 |
CHEMBL1613808
(1)
|
0 / 0 |
| P56817 | Beta-secretase 1 | A1A | CHEMBL1078442 |
CHEMBL1936881
(1)
CHEMBL1936883
(1)
CHEMBL1936884 (1) CHEMBL1937035 (1) |
0 / 0 |
| Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 | Enzyme | CHEMBL1571785 |
CHEMBL1613910
(1)
|
3 / 3 |
| P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | Enzyme | CHEMBL1571785 |
CHEMBL1614038
(1)
|
2 / 2 |
| P20815 | Cytochrome P450 3A5 | Cytochrome P450 3A5 | CHEMBL1078442 |
CHEMBL1743482
(2)
CHEMBL1743513
(1)
|
0 / 1 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1078442 |
CHEMBL1613777
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1078442 CHEMBL1571785 |
CHEMBL1108441
(1)
CHEMBL1614108
(1)
CHEMBL1613886 (1) CHEMBL1743451 (1) CHEMBL1743467 (2) |
0 / 1 |
| P05181 | Cytochrome P450 2E1 | Cytochrome P450 2E1 | CHEMBL1078442 |
CHEMBL1743421
(2)
|
0 / 0 |
| O75164 | Lysine-specific demethylase 4A | Enzyme | CHEMBL1078442 |
CHEMBL1737991
(1)
|
0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL1571785 |
CHEMBL1614250
(1)
|
4 / 3 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL1571785 |
CHEMBL1613914
(1)
|
0 / 0 |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 | Enzyme | CHEMBL1078442 CHEMBL1571785 |
CHEMBL1614364
(2)
|
1 / 1 |
| O00255 | Menin | Unclassified protein | CHEMBL1571785 |
CHEMBL1614531
(1)
|
2 / 5 |
| Q03164 | Histone-lysine N-methyltransferase 2A | Enzyme | CHEMBL1571785 |
CHEMBL1614531
(1)
|
1 / 3 |
| Q13951 | Core-binding factor subunit beta | Unclassified protein | CHEMBL1571785 |
CHEMBL1613933
(1)
|
0 / 1 |
| Q01196 | Runt-related transcription factor 1 | Unclassified protein | CHEMBL1571785 |
CHEMBL1613933
(1)
|
1 / 6 |
CTD interaction (14)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C068337 | 196 |
AHR
bHLHe76 |
aryl hydrocarbon receptor | bergamottin results in increased activity of AHR protein |
increases activity
|
protein |
21924250
|
| C068337 | 972 |
CD74
DHLAG HLADG II Ia-GAMMA |
CD74 molecule, major histocompatibility complex, class II invariant chain | bergamottin results in decreased expression of CD74 mRNA |
decreases expression
|
mRNA |
18818744
|
| C068337 | 1545 |
CYP1B1
CP1B CYPIB1 GLC3A P4501B1 |
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) | bergamottin inhibits the reaction [CYP1B1 protein results in increased oxidation of benzo(a)pyrene 7,8-dihydrodiol] |
decreases reaction
/ increases oxidation |
protein |
15861043
|
| C068337 | 1545 |
CYP1B1
CP1B CYPIB1 GLC3A P4501B1 |
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) | bergamottin results in decreased activity of CYP1B1 protein |
decreases activity
|
protein |
15861043
|
| C068337 | 1545 |
CYP1B1
CP1B CYPIB1 GLC3A P4501B1 |
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) | bergamottin results in decreased activity of CYP1B1 protein polymorphism |
decreases activity
|
protein |
15861043
|
| C068337 | 1555 |
CYP2B6
CPB6 CYP2B CYP2B7 CYP2B7P CYPIIB6 EFVM IIB1 P450 |
cytochrome P450, family 2, subfamily B, polypeptide 6 (EC:1.14.14.1) | bergamottin results in decreased activity of CYP2B6 protein |
decreases activity
|
protein |
15769884
|
| C068337 | 1576 |
CYP3A4
CP33 CP34 CYP3A CYP3A3 CYPIIIA3 CYPIIIA4 HLP NF-25 P450C3 P450PCN1 |
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) | bergamottin results in decreased activity of CYP3A4 protein |
decreases activity
|
protein |
11451028
15860655 |
| C068337 | 8856 |
NR1I2
BXR ONR1 PAR PAR1 PAR2 PARq PRR PXR SAR SXR |
nuclear receptor subfamily 1, group I, member 2 | bergamottin results in increased activity of NR1I2 protein |
increases activity
|
protein |
21924250
|
| C068337 | 9970 |
NR1I3
CAR CAR1 MB67 |
nuclear receptor subfamily 1, group I, member 3 | bergamottin results in increased activity of NR1I3 protein |
increases activity
|
protein |
21924250
|
| C068337 | 54658 |
UGT1A1
BILIQTL1 GNT1 HUG-BR1 UDPGT UDPGT_1-1 UGT1 UGT1A |
UDP glucuronosyltransferase 1 family, polypeptide A1 (EC:2.4.1.17) | UGT1A1 protein results in increased glucuronidation of bergamottin analog |
increases glucuronidation
|
protein |
14557274
|
| C068337 | 54575 |
UGT1A10
UDPGT UGT-1J UGT1-10 UGT1.10 UGT1J |
UDP glucuronosyltransferase 1 family, polypeptide A10 (EC:2.4.1.17) | UGT1A10 protein results in increased glucuronidation of bergamottin analog |
increases glucuronidation
|
protein |
14557274
|
| C068337 | 54577 |
UGT1A7
UDPGT UDPGT_1-7 UGT-1G UGT1-07 UGT1.7 UGT1G |
UDP glucuronosyltransferase 1 family, polypeptide A7 (EC:2.4.1.17) | UGT1A7 protein results in increased glucuronidation of bergamottin analog |
increases glucuronidation
|
protein |
14557274
|
| C068337 | 54576 |
UGT1A8
UDPGT UDPGT_1-8 UGT-1H UGT1-08 UGT1.8 UGT1A8S UGT1H |
UDP glucuronosyltransferase 1 family, polypeptide A8 (EC:2.4.1.17) | UGT1A8 protein results in increased glucuronidation of bergamottin analog |
increases glucuronidation
|
protein |
14557274
|
| C068337 | 54600 |
UGT1A9
HLUGP4 LUGP4 UDPGT UDPGT_1-9 UGT-1I UGT1-09 UGT1-9 UGT1.9 UGT1AI UGT1I |
UDP glucuronosyltransferase 1 family, polypeptide A9 (EC:2.4.1.17) | UGT1A9 protein results in increased glucuronidation of bergamottin analog |
increases glucuronidation
|
protein |
14557274
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (27)
| OMIM | preferred title | UniProt |
|---|---|---|
| #300438 | 17-beta-hydroxysteroid dehydrogenase x deficiency |
Q99714
|
| #119900 | Digital clubbing, isolated congenital |
P15428
|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #614546 | Efavirenz, poor metabolism of |
P20813
|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #608013 | Gaucher disease, perinatal lethal |
P04062
|
| #230800 | Gaucher disease, type i |
P04062
|
| #230900 | Gaucher disease, type ii |
P04062
|
| #231000 | Gaucher disease, type iii |
P04062
|
| #231005 | Gaucher disease, type iiic |
P04062
|
| #605130 | Hairy elbows, short stature, facial dysmorphism, and developmental delay |
Q03164
|
| #145000 | Hyperparathyroidism 1; hrpt1 |
O00255
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #259100 | Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 |
P15428
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
| #612244 | Inflammatory bowel disease 13; ibd13 |
P08183
|
| #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
|
| #168600 | Parkinson disease, late-onset; pd |
P04062
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #601399 | Platelet disorder, familial, with associated myeloid malignancy |
Q01196
|
| #607250 | Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 |
Q9NUW8
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
KEGG DISEASE (28)
| 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)
|
| H00066 | Lewy body dementia (LBD) |
P04062
(related)
|
| H00126 | Gaucher disease |
P04062
(related)
|
| H00426 | Defects in the degradation of ganglioside |
P04062
(related)
|
| H00810 | Progressive myoclonic epilepsy (PME) |
P04062
(related)
|
| H00036 | Osteosarcoma |
P08684
(marker)
P20815 (marker) |
| H00058 | Amyotrophic lateral sclerosis (ALS) |
P10636
(related)
|
| H00077 | Progressive supranuclear palsy (PSP) |
P10636
(related)
|
| H00078 | Frontotemporal lobar degeneration (FTLD) |
P10636
(related)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00457 | Primary hypertrophic osteoarthropathy (PHO) |
P15428
(related)
|
| H01246 | Isolated congenital nail clubbing (ICNC) |
P15428
(related)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00001 | Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) |
Q01196
(related)
Q01196 (marker) Q03164 (related) Q03164 (marker) |
| H00003 | Acute myeloid leukemia (AML) |
Q01196
(related)
Q01196 (marker) Q13951 (marker) |
| H00004 | Chronic myeloid leukemia (CML) |
Q01196
(related)
|
| H00978 | Thrombocytopenia (THC) |
Q01196
(related)
|
| H00002 | Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) |
Q03164
(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)
|
| H00063 | Spinocerebellar ataxia (SCA) |
Q9NUW8
(related)
|