KNApSAcK Metabolite C00000575
Metabolite
KNApSAcK Entry
| id | C00000575 |
|---|---|
| Name | Bergaptan |
| CAS RN | 484-20-8 |
| Standard InChI | InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
| Standard InChI (Main Layer) | InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
Cluster
| Phytochemical cluster | No. 25 |
|---|---|
| KCF-S cluster | No. 1282 |
Link
ChEMBL
| By standard InChI | CHEMBL24171 |
|---|---|
| By standard InChI Main Layer | CHEMBL24171 |
KEGG
| By LinkDB | C01557 |
|---|
CTD
| By CAS RN | C022909 |
|---|
Species
Summary
Family
| family name | count |
|---|---|
| Apiaceae | 37 |
| Moraceae | 18 |
| Rutaceae | 12 |
| Fabaceae | 4 |
| Caprifoliaceae | 1 |
| Solanaceae | 1 |
| Asteraceae | 1 |
List (75)
* NCBI
Human Protein / Gene in interaction
22 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL24171 |
CHEMBL1614110
(1)
|
1 / 0 |
| Q09470 | Potassium voltage-gated channel subfamily A member 1 | KCNA, Kv1.x (Shaker) | CHEMBL24171 |
CHEMBL703981
(1)
CHEMBL703982
(1)
CHEMBL703983 (1) |
1 / 1 |
| P48547 | Potassium voltage-gated channel subfamily C member 1 | K | CHEMBL24171 |
CHEMBL702910
(1)
|
0 / 0 |
| P22001 | Potassium voltage-gated channel subfamily A member 3 | KCNA, Kv1.x (Shaker) | CHEMBL24171 |
CHEMBL1029465
(1)
|
0 / 0 |
| P20813 | Cytochrome P450 2B6 | Cytochrome P450 2B6 | CHEMBL24171 |
CHEMBL1743496
(1)
|
1 / 0 |
| P17658 | Potassium voltage-gated channel subfamily A member 6 | K | CHEMBL24171 |
CHEMBL702907
(1)
|
0 / 0 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL24171 |
CHEMBL1614281
(1)
CHEMBL1614361
(1)
|
3 / 2 |
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL24171 |
CHEMBL2077114
(1)
|
1 / 0 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL24171 |
CHEMBL1614027
(1)
|
0 / 1 |
| P16389 | Potassium voltage-gated channel subfamily A member 2 | KCNA, Kv1.x (Shaker) | CHEMBL24171 |
CHEMBL703985
(1)
|
0 / 0 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL24171 |
CHEMBL1614458
(3)
|
0 / 0 |
| P11509 | Cytochrome P450 2A6 | Cytochrome P450 2A6 | CHEMBL24171 |
CHEMBL1743539
(2)
|
0 / 0 |
| P63092 | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | Other membrane protein | CHEMBL24171 |
CHEMBL2114810
(1)
|
7 / 3 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL24171 |
CHEMBL1794401
(1)
|
0 / 0 |
| P56817 | Beta-secretase 1 | A1A | CHEMBL24171 |
CHEMBL1936881
(1)
CHEMBL1936882
(1)
|
0 / 0 |
| Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 | Enzyme | CHEMBL24171 |
CHEMBL1613910
(1)
|
3 / 3 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL24171 |
CHEMBL1613777
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL24171 |
CHEMBL1614108
(1)
CHEMBL1613886
(1)
|
0 / 1 |
| Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | CHEMBL24171 |
CHEMBL2114890
(1)
|
0 / 0 |
| P10275 | Androgen receptor | NR3C4 | CHEMBL24171 |
CHEMBL1794560
(1)
|
3 / 4 |
| P22460 | Potassium voltage-gated channel subfamily A member 5 | KCNA, Kv1.x (Shaker) | CHEMBL24171 |
CHEMBL702905
(1)
CHEMBL1029462
(1)
|
1 / 1 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL24171 |
CHEMBL1613914
(1)
|
0 / 0 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (22)
| OMIM | preferred title | UniProt |
|---|---|---|
| #300438 | 17-beta-hydroxysteroid dehydrogenase x deficiency |
Q99714
|
| #219080 | Acth-independent macronodular adrenal hyperplasia; aimah |
P63092
|
| #300068 | Androgen insensitivity syndrome; ais |
P10275
|
| #312300 | Androgen insensitivity, partial; pais |
P10275
|
| #612240 | Atrial fibrillation, familial, 7; atfb7 |
P22460
|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #614546 | Efavirenz, poor metabolism of |
P20813
|
| #160120 | Episodic ataxia, type 1; ea1 |
Q09470
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
| #612244 | Inflammatory bowel disease 13; ibd13 |
P08183
|
| #174800 | Mccune-albright syndrome; mas |
P63092
|
| #300705 | Mental retardation, x-linked 17; mrx17 |
Q99714
|
| #300220 | Mental retardation, x-linked, syndromic 10; mrxs10 |
Q99714
|
| #166350 | Osseous heteroplasia, progressive; poh |
P63092
|
| #102200 | Pituitary adenoma, growth hormone-secreting |
P63092
|
| #103580 | Pseudohypoparathyroidism, type ia; php1a |
P63092
|
| #603233 | Pseudohypoparathyroidism, type ib; php1b |
P63092
|
| #612462 | Pseudohypoparathyroidism, type ic; php1c |
P63092
|
| #313200 | Spinal and bulbar muscular atrophy, x-linked 1; smax1 |
P10275
|
KEGG DISEASE (17)
| KEGG | disease name | UniProt |
|---|---|---|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H00024 | Prostate cancer |
P10275
(related)
|
| H00062 | Spinal and bulbar muscular atrophy (SBMA) |
P10275
(related)
|
| H00608 | 46,XY disorders of sex development (Disorders in androgen synthesis or action) |
P10275
(related)
|
| H00609 | 46,XY disorders of sex development (Other) |
P10275
(related)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H00731 | Atrial fibrillation |
P22460
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00244 | Pseudohypoparathyroidism |
P63092
(related)
|
| H00441 | Progressive osseous heteroplasia (POH) |
P63092
(related)
|
| H00501 | Fibrous dysplasia, polyostotic |
P63092
(related)
|
| H00749 | Episodic ataxias |
Q09470
(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)
|