PCIDB

KNApSAcK Metabolite C00030532

Metabolite

KNApSAcK Entry

id C00030532
Name Isoimperatorin
CAS RN 482-45-1
Standard InChI InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
Standard InChI (Main Layer) InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3

Cluster

Phytochemical cluster No. 25
KCF-S cluster No. 606

Link

ChEMBL

By standard InChI CHEMBL448060
By standard InChI Main Layer CHEMBL448060

KEGG

By LinkDB C16976

CTD

By CAS RN C055542

Human Protein / Gene in interaction

8 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL448060 CHEMBL1738312 (1)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL448060 CHEMBL1614544 (1)
11 / 10
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL448060 CHEMBL1614458 (1)
0 / 0
P56817 Beta-secretase 1 A1A CHEMBL448060 CHEMBL1073480 (2) CHEMBL1936881 (1)
0 / 0
P22303 Acetylcholinesterase Hydrolase CHEMBL448060 CHEMBL1003053 (1)
1 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL448060 CHEMBL1794483 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL448060 CHEMBL1738442 (1)
0 / 0
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL448060 CHEMBL2354287 (1)
1 / 1

CTD interaction (5)

compound gene gene name gene description interaction interaction type form reference
pmid
C055542 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) isoimperatorin inhibits the reaction [CYP1B1 protein results in increased oxidation of benzo(a)pyrene 7,8-dihydrodiol] decreases reaction
/ increases oxidation
protein 15861043
C055542 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) isoimperatorin results in decreased activity of CYP1B1 protein decreases activity
protein 15861043
C055542 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) isoimperatorin results in decreased activity of CYP1B1 protein polymorphism decreases activity
protein 15861043
C055542 2939 GSTA2
GST2
GSTA2-2
GTA2
GTH2
glutathione S-transferase alpha 2 (EC:2.5.1.18) isoimperatorin results in increased expression of GSTA2 mRNA increases expression
mRNA 16829687
C055542 3162 HMOX1
HMOX1D
HO-1
HSP32
bK286B10
heme oxygenase (decycling) 1 (EC:1.14.99.3) isoimperatorin results in increased expression of HMOX1 increases expression
19642688

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (13)

OMIM preferred title UniProt
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#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
#112100 Yt blood group antigen P22303

KEGG DISEASE (11)

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)
H00058 Amyotrophic lateral sclerosis (ALS) Q13148 (related)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D056486 C055542 Drug-Induced Liver Injury marker/mechanism
22173200