PCIDB

KNApSAcK Metabolite C00034452

Metabolite

KNApSAcK Entry

id C00034452
Name Benzaldehyde
CAS RN 100-52-7
Standard InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Standard InChI (Main Layer) InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H

Cluster

Phytochemical cluster
KCF-S cluster No. 6311

Link

ChEMBL

By standard InChI CHEMBL15972
By standard InChI Main Layer CHEMBL15972

KEGG

By LinkDB C00261

CTD

By CAS RN C032175

Human Protein / Gene in interaction

8 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q03181 Peroxisome proliferator-activated receptor delta NR1C2 CHEMBL15972 CHEMBL1794524 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL15972 CHEMBL1614458 (1)
0 / 0
P11509 Cytochrome P450 2A6 Cytochrome P450 2A6 CHEMBL15972 CHEMBL832816 (1)
0 / 0
P14902 Indoleamine 2,3-dioxygenase 1 Enzyme CHEMBL15972 CHEMBL2092115 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL15972 CHEMBL1794584 (1)
2 / 0
P10145 Interleukin-8 Secreted protein CHEMBL15972 CHEMBL2114835 (1)
0 / 0
P14679 Tyrosinase Oxidoreductase CHEMBL15972 CHEMBL813550 (1)
4 / 2
P03372 Estrogen receptor NR3A1 CHEMBL15972 CHEMBL1794542 (1) CHEMBL1941568 (1)
CHEMBL1941569 (1)
1 / 1

CTD interaction (6)

compound gene gene name gene description interaction interaction type form reference
pmid
C032175 217 ALDH2
ALDH-E2
ALDHI
ALDM
aldehyde dehydrogenase 2 family (mitochondrial) (EC:1.2.1.3) ALDH2 protein results in increased metabolism of benzaldehyde increases metabolic processing
protein 11744614
C032175 217 ALDH2
ALDH-E2
ALDHI
ALDM
aldehyde dehydrogenase 2 family (mitochondrial) (EC:1.2.1.3) benzaldehyde inhibits the reaction [4-dimethylaminocinnamaldehyde binds to ALDH2 protein] affects binding
/ decreases reaction
protein 10609638
C032175 218 ALDH3A1
ALDH3
ALDHIII
aldehyde dehydrogenase 3 family, member A1 (EC:1.2.1.5) [ALDH3A1 protein co-treated with NADP] results in increased oxidation of benzaldehyde affects cotreatment
/ increases oxidation
protein 10856427
C032175 218 ALDH3A1
ALDH3
ALDHIII
aldehyde dehydrogenase 3 family, member A1 (EC:1.2.1.5) [ALDH3A1 protein co-treated with NAD] results in increased oxidation of benzaldehyde affects cotreatment
/ increases oxidation
protein 10856427
C032175 218 ALDH3A1
ALDH3
ALDHIII
aldehyde dehydrogenase 3 family, member A1 (EC:1.2.1.5) ALDH3A1 protein results in increased oxidation of benzaldehyde increases oxidation
protein 21349255
C032175 221 ALDH3B1
ALDH4
ALDH7
aldehyde dehydrogenase 3 family, member B1 (EC:1.2.1.5) benzaldehyde binds to ALDH3B1 protein affects binding
protein 20699116

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (7)

OMIM preferred title UniProt
#103470 Albinism, ocular, with sensorineural deafness P14679
#203100 Albinism, oculocutaneous, type ia; oca1a P14679
#606952 Albinism, oculocutaneous, type ib; oca1b P14679
#114500 Colorectal cancer; crc P84022
#615363 Estrogen resistance; estrr P03372
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#601800 Skin/hair/eye pigmentation, variation in, 3; shep3 P14679

KEGG DISEASE (3)

KEGG disease name UniProt
H00026 Endometrial Cancer P03372 (marker)
H00168 Oculocutaneous albinism (OCA) P14679 (related)
H00038 Malignant melanoma P14679 (marker)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D012640 C032175 Seizures marker/mechanism
14644630