KNApSAcK Metabolite C00029504
Metabolite
KNApSAcK Entry
| id | C00029504 |
|---|---|
| Name | Vanilacetic acid / Homovanillic acid / 3-Methoxy-4-hydroxyphenylacetic acid / 4-Hydroxy-3-methoxybenzeneacetic acid |
| CAS RN | 306-08-1 |
| Standard InChI | InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) |
| Standard InChI (Main Layer) | InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) |
Cluster
| Phytochemical cluster | No. 6 |
|---|---|
| KCF-S cluster | No. 1852 |
Link
ChEMBL
| By standard InChI | CHEMBL1562 |
|---|---|
| By standard InChI Main Layer | CHEMBL1562 |
KEGG
| By LinkDB | C05582 |
|---|
CTD
| By CAS RN | D006719 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Magnoliophyta | 1 |
Family
| family name | count |
|---|---|
| Lauraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Persea americana | 3435 | Lauraceae | Magnoliophyta | Viridiplantae |
Human Protein / Gene in interaction
17 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL1562 |
CHEMBL1741321
(1)
|
1 / 0 |
| P49798 | Regulator of G-protein signaling 4 | Unclassified protein | CHEMBL1562 |
CHEMBL1794499
(1)
|
2 / 0 |
| P10253 | Lysosomal alpha-glucosidase | Hydrolase | CHEMBL1562 |
CHEMBL1614076
(1)
|
1 / 1 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL1562 |
CHEMBL1614361
(1)
|
3 / 2 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1562 |
CHEMBL1741325
(1)
|
0 / 1 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL1562 |
CHEMBL1614458
(1)
|
0 / 0 |
| O60656 | UDP-glucuronosyltransferase 1-9 | Enzyme | CHEMBL1562 |
CHEMBL1908086
(1)
|
0 / 0 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL1562 |
CHEMBL1738610
(1)
|
0 / 0 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL1562 |
CHEMBL1741322
(1)
|
0 / 0 |
| Q96QE3 | ATPase family AAA domain-containing protein 5 | Unclassified protein | CHEMBL1562 |
CHEMBL1738675
(1)
|
0 / 0 |
| P19838 | Nuclear factor NF-kappa-B p105 subunit | Transcription Factor | CHEMBL1562 |
CHEMBL1614274
(1)
CHEMBL1613823
(1)
|
0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1562 |
CHEMBL1741323
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1562 |
CHEMBL1741324
(1)
|
0 / 1 |
| Q99549 | M-phase phosphoprotein 8 | Unclassified protein | CHEMBL1562 |
CHEMBL1738402
(1)
|
0 / 0 |
| P19224 | UDP-glucuronosyltransferase 1-6 | Enzyme | CHEMBL1562 |
CHEMBL1908083
(1)
|
0 / 0 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | CHEMBL1562 |
CHEMBL1738442
(2)
|
0 / 0 |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 | Enzyme | CHEMBL1562 |
CHEMBL1614364
(1)
|
1 / 1 |
CTD interaction (2)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| D006719 | 1312 |
COMT
|
catechol-O-methyltransferase (EC:2.1.1.6) | [tolcapone results in decreased activity of COMT protein] which results in decreased abundance of Homovanillic Acid |
decreases abundance
/ decreases activity |
protein |
11793163
|
| D006719 | 6343 |
SCT
|
secretin | SCT protein results in increased abundance of Homovanillic Acid |
increases abundance
|
protein |
16168596
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (9)
| OMIM | preferred title | UniProt |
|---|---|---|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #232300 | Glycogen storage disease ii |
P10253
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
| #604906 | Schizophrenia 9; sczd9 |
P49798
|
| #181500 | Schizophrenia; sczd |
P49798
|
| #607250 | Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 |
Q9NUW8
|
KEGG DISEASE (7)
| KEGG | disease name | UniProt |
|---|---|---|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H00069 | Glycogen storage diseases (GSD) |
P10253
(related)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00063 | Spinocerebellar ataxia (SCA) |
Q9NUW8
(related)
|
Diseases related to CTD interactions
11 disease from interactions of metabolites
| MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
|---|---|---|---|---|---|
| D001927 | D006719 | Brain Diseases |
marker/mechanism
|
2428491
|
|
| D002375 | D006719 | Catalepsy |
marker/mechanism
|
7336983
|
|
| D064420 | D006719 | Drug-Related Side Effects and Adverse Reactions |
marker/mechanism
|
2428491
|
|
| D006816 | D006719 | Huntington Disease |
marker/mechanism
|
6453208
|
|
| D006948 | D006719 | Hyperkinesis |
marker/mechanism
|
7336983
|
|
| D010302 | D006719 | Parkinson Disease, Secondary |
marker/mechanism
|
9386853
|
|
| D020734 | D006719 | Parkinsonian Disorders |
marker/mechanism
|
8817341
|
|
| C537537 | D006719 | Segawa syndrome, autosomal recessive |
marker/mechanism
|
8817341
|
|
| D012640 | D006719 | Seizures |
marker/mechanism
|
14559291
|
|
| D013226 | D006719 | Status Epilepticus |
marker/mechanism
|
15488322
15876489 16563474 |
|
| D019956 | D006719 | Stereotypic Movement Disorder |
therapeutic
|
7336983
|