PCIDB

KNApSAcK Metabolite C00019221

Metabolite

KNApSAcK Entry

id C00019221
Name Benzyl benzoate
CAS RN 120-51-4
Standard InChI InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
Standard InChI (Main Layer) InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

Cluster

Phytochemical cluster
KCF-S cluster No. 2308

Link

ChEMBL

By standard InChI CHEMBL1239
By standard InChI Main Layer CHEMBL1239

KEGG

By LinkDB C12537

CTD

By CAS RN C006723

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P30556 Type-1 angiotensin II receptor Angiotensin receptor CHEMBL1239 CHEMBL998776 (1) CHEMBL1001389 (1)
1 / 1
P40925 Malate dehydrogenase, cytoplasmic Enzyme CHEMBL1239 CHEMBL712991 (1) CHEMBL709628 (1)
0 / 0
P50052 Type-2 angiotensin II receptor Angiotensin receptor CHEMBL1239 CHEMBL1001390 (1) CHEMBL1001391 (1)
1 / 1
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1239 CHEMBL1614410 (1)
1 / 3
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL1239 CHEMBL1794401 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1239 CHEMBL1794467 (1)
0 / 0
Q96RI1 Bile acid receptor NR1H4 CHEMBL1239 CHEMBL1794415 (1)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL1239 CHEMBL1737991 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL1239 CHEMBL2114890 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL1239 CHEMBL1614364 (1)
1 / 1
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL1239 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL1239 CHEMBL1613933 (1)
1 / 6

CTD interaction (3)

compound gene gene name gene description interaction interaction type form reference
pmid
C006723 2099 ESR1
ER
ESR
ESRA
ESTRR
Era
NR3A1
estrogen receptor 1 benzyl benzoate inhibits the reaction [Estradiol binds to ESR1 protein] affects binding
/ decreases reaction
protein 19338011
C006723 2100 ESR2
ER-BETA
ESR-BETA
ESRB
ESTRB
Erb
NR3A2
estrogen receptor 2 (ER beta) benzyl benzoate inhibits the reaction [Estradiol binds to ESR2 protein] affects binding
/ decreases reaction
protein 19338011
C006723 7031 TFF1
BCEI
D21S21
HP1.A
HPS2
pNR-2
pS2
trefoil factor 1 benzyl benzoate results in increased expression of TFF1 mRNA increases expression
mRNA 19338011

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (5)

OMIM preferred title UniProt
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
%300852 Mental retardation, x-linked 88; mrx88 P50052
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#267430 Renal tubular dysgenesis; rtd P30556
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8

KEGG DISEASE (8)

KEGG disease name UniProt
H00575 Renal tubular dysgenesis P30556 (related)
H00480 Non-syndromic X-linked mental retardation P50052 (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)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)

Diseases related to CTD interactions

2 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D003877 C006723 Dermatitis, Contact marker/mechanism
6221686
D012532 C006723 Scabies therapeutic
6168673