PCIDB

KNApSAcK Metabolite C00002741

Metabolite

KNApSAcK Entry

id C00002741
Name Methyleugenol / 4-Allylveratrole / Eugenol methyl ether
CAS RN 93-15-2
Standard InChI InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
Standard InChI (Main Layer) InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1412

Link

ChEMBL

By standard InChI CHEMBL108861
By standard InChI Main Layer CHEMBL108861

KEGG

By LinkDB C10454

CTD

By CAS RN C005223

Human Protein / Gene in interaction

12 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q03181 Peroxisome proliferator-activated receptor delta NR1C2 CHEMBL108861 CHEMBL2015997 (1)
0 / 0
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL108861 CHEMBL1794399 (1)
3 / 1
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL108861 CHEMBL1614458 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL108861 CHEMBL1738606 (1)
0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein CHEMBL108861 CHEMBL1794584 (1)
2 / 0
P04150 Glucocorticoid receptor NR3C1 CHEMBL108861 CHEMBL1794456 (1)
0 / 1
P37231 Peroxisome proliferator-activated receptor gamma NR1C3 CHEMBL108861 CHEMBL2014330 (1)
5 / 3
Q96RI1 Bile acid receptor NR1H4 CHEMBL108861 CHEMBL1794415 (1)
0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL108861 CHEMBL1738588 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL108861 CHEMBL2114890 (1)
0 / 0
P10275 Androgen receptor NR3C4 CHEMBL108861 CHEMBL1794560 (1)
3 / 4
Q07869 Peroxisome proliferator-activated receptor alpha NR1C1 CHEMBL108861 CHEMBL2014329 (1)
0 / 0

CTD interaction (3)

compound gene gene name gene description interaction interaction type form reference
pmid
C005223 2938 GSTA1
GST2
GSTA1-1
GTH1
glutathione S-transferase alpha 1 (EC:2.5.1.18) methyleugenol results in decreased activity of GSTA1 protein decreases activity
protein 8620581
C005223 2944 GSTM1
GST1
GSTM1-1
GSTM1a-1a
GSTM1b-1b
GTH4
GTM1
H-B
MU
MU-1
glutathione S-transferase mu 1 (EC:2.5.1.18) methyleugenol results in decreased activity of GSTM1 protein decreases activity
protein 8620581
C005223 2950 GSTP1
DFN7
FAEES3
GST3
GSTP
PI
glutathione S-transferase pi 1 (EC:2.5.1.18) methyleugenol results in decreased activity of GSTP1 protein decreases activity
protein 8620581

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (13)

OMIM preferred title UniProt
#300068 Androgen insensitivity syndrome; ais P10275
#312300 Androgen insensitivity, partial; pais P10275
%606641 Body mass index; bmi P37231
#609338 Carotid intimal medial thickness 1 P37231
#114500 Colorectal cancer; crc P84022
#137800 Glioma susceptibility 1; glm1 P37231
#604367 Lipodystrophy, familial partial, type 3; fpld3 P37231
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#601665 Obesity P37231
#313200 Spinal and bulbar muscular atrophy, x-linked 1; smax1 P10275
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828

KEGG DISEASE (9)

KEGG disease name UniProt
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P04150 (related)
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)
H00249 Thyroid hormone resistance syndrome P10828 (related)
H00032 Thyroid cancer P37231 (related)
H00409 Type II diabetes mellitus P37231 (related)
H00420 Familial partial lipodystrophy (FPL) P37231 (related)

Diseases related to CTD interactions

9 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D000707 C005223 Anaphylaxis therapeutic
9125128
D001943 C005223 Breast Neoplasms marker/mechanism
11921183
D003328 C005223 Coronary Thrombosis marker/mechanism
16048847
D006529 C005223 Hepatomegaly marker/mechanism
23074021
D006930 C005223 Hyperalgesia therapeutic
17049512
D008113 C005223 Liver Neoplasms marker/mechanism
6825084
10467420
23074021
D008114 C005223 Liver Neoplasms, Experimental marker/mechanism
20004213
D008325 C005223 Mammary Neoplasms, Experimental marker/mechanism
11921183
D009374 C005223 Neoplasms, Experimental marker/mechanism
14976343