PCIDB

KNApSAcK Metabolite C00000155

Metabolite

KNApSAcK Entry

id C00000155
Name Thymol
CAS RN 89-83-8
Standard InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
Standard InChI (Main Layer) InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3

Cluster

Phytochemical cluster No. 35
KCF-S cluster No. 969

Link

ChEMBL

By standard InChI CHEMBL29411
By standard InChI Main Layer CHEMBL29411

KEGG

By LinkDB C09908

CTD

By CAS RN D013943

Human Protein / Gene in interaction

9 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P22310 UDP-glucuronosyltransferase 1-4 Enzyme CHEMBL29411 CHEMBL1908081 (1) CHEMBL1908082 (1)
3 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL29411 CHEMBL1014033 (1)
0 / 3
P02545 Prelamin-A/C Unclassified protein CHEMBL29411 CHEMBL1614544 (1)
11 / 10
O60656 UDP-glucuronosyltransferase 1-9 Enzyme CHEMBL29411 CHEMBL1908086 (1)
0 / 0
P54855 UDP-glucuronosyltransferase 2B15 Enzyme CHEMBL29411 CHEMBL1908090 (1)
0 / 0
O75762 Transient receptor potential cation channel subfamily A member 1 Unclassified protein CHEMBL29411 CHEMBL1118242 (1) CHEMBL1118243 (1)
CHEMBL1629242 (1) CHEMBL2091983 (1)
1 / 0
Q9Y4X1 UDP-glucuronosyltransferase 2A1 Enzyme CHEMBL29411 CHEMBL1908088 (1)
0 / 0
P22309 UDP-glucuronosyltransferase 1-1 Enzyme CHEMBL29411 CHEMBL1908080 (2)
5 / 1
P19224 UDP-glucuronosyltransferase 1-6 Enzyme CHEMBL29411 CHEMBL1908083 (2)
0 / 0

CTD interaction (12)

compound gene gene name gene description interaction interaction type form reference
pmid
D013943 9131 AIFM1
AIF
CMTX4
COWCK
COXPD6
PDCD8
apoptosis-inducing factor, mitochondrion-associated, 1 Thymol affects the localization of AIFM1 protein affects localization
protein 21640085
D013943 581 BAX
BCL2L4
BCL2-associated X protein Thymol results in increased expression of BAX protein increases expression
protein 21640085
D013943 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 Thymol results in decreased expression of BCL2 protein decreases expression
protein 21640085
D013943 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) Thymol results in increased activity of CASP3 protein increases activity
protein 21640085
D013943 841 CASP8
ALPS2B
CAP4
Casp-8
FLICE
MACH
MCH5
caspase 8, apoptosis-related cysteine peptidase (EC:3.4.22.61) Thymol results in increased activity of CASP8 protein increases activity
protein 21640085
D013943 842 CASP9
APAF-3
APAF3
ICE-LAP6
MCH6
PPP1R56
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) Thymol results in increased activity of CASP9 protein increases activity
protein 21640085
D013943 162514 TRPV3
OLMS
VRL3
transient receptor potential cation channel, subfamily V, member 3 Thymol results in increased activity of TRPV3 protein increases activity
protein 16617338
D013943 54658 UGT1A1
BILIQTL1
GNT1
HUG-BR1
UDPGT
UDPGT_1-1
UGT1
UGT1A
UDP glucuronosyltransferase 1 family, polypeptide A1 (EC:2.4.1.17) UGT1A1 protein results in increased glucuronidation of Thymol increases glucuronidation
protein 14557274
D013943 54575 UGT1A10
UDPGT
UGT-1J
UGT1-10
UGT1.10
UGT1J
UDP glucuronosyltransferase 1 family, polypeptide A10 (EC:2.4.1.17) UGT1A10 protein results in increased glucuronidation of Thymol increases glucuronidation
protein 14557274
D013943 54577 UGT1A7
UDPGT
UDPGT_1-7
UGT-1G
UGT1-07
UGT1.7
UGT1G
UDP glucuronosyltransferase 1 family, polypeptide A7 (EC:2.4.1.17) UGT1A7 protein results in increased glucuronidation of Thymol increases glucuronidation
protein 14557274
D013943 54576 UGT1A8
UDPGT
UDPGT_1-8
UGT-1H
UGT1-08
UGT1.8
UGT1A8S
UGT1H
UDP glucuronosyltransferase 1 family, polypeptide A8 (EC:2.4.1.17) UGT1A8 protein results in increased glucuronidation of Thymol increases glucuronidation
protein 14557274
D013943 54600 UGT1A9
HLUGP4
LUGP4
UDPGT
UDPGT_1-9
UGT-1I
UGT1-09
UGT1-9
UGT1.9
UGT1AI
UGT1I
UDP glucuronosyltransferase 1 family, polypeptide A9 (EC:2.4.1.17) UGT1A9 protein results in increased glucuronidation of Thymol increases glucuronidation
protein 14557274

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (17)

OMIM preferred title UniProt
#601816 Bilirubin, serum level of, quantitative trait locus 1; biliqtl1 P22309
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#218800 Crigler-najjar syndrome, type i P22309
P22310
#606785 Crigler-najjar syndrome, type ii P22309
P22310
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#615040 Episodic pain syndrome, familial, 1; feps1 O75762
#143500 Gilbert syndrome P22309
P22310
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#237900 Hyperbilirubinemia, transient familial neonatal; hblrtfn P22309
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#275210 Restrictive dermopathy, lethal P02545

KEGG DISEASE (14)

KEGG disease name UniProt
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00208 Hyperbilirubinemia P22309 (related)
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)