PCIDB

KNApSAcK Metabolite C00002477

Metabolite

KNApSAcK Entry

id C00002477
Name Imperatorin
CAS RN 482-44-0
Standard InChI InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
Standard InChI (Main Layer) InChI=1S/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3

Cluster

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

Link

ChEMBL

By standard InChI CHEMBL453805
By standard InChI Main Layer CHEMBL453805

KEGG

By LinkDB C09269

CTD

By CAS RN C031534

Species

Summary

Plant class

class name count
asterids 32
rosids 10

Family

family name count
Apiaceae 31
Rutaceae 9
Rosaceae 1
Aspergillaceae 1
Asteraceae 1

List (43)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aegle marmelos 68527 Rutaceae rosids Viridiplantae
Angelica archangelica 40949 Apiaceae asterids Viridiplantae
Angelica dahurica 48101 Apiaceae asterids Viridiplantae
Angelica furcijuga KITAGAWA 40948 Apiaceae asterids Viridiplantae
Angelica komarovii 40948 Apiaceae asterids Viridiplantae
Angelica sinensis 165353 Apiaceae asterids Viridiplantae
Angelica spp. 40948 Apiaceae asterids Viridiplantae
Angelica ursina Maxim 40948 Apiaceae asterids Viridiplantae
Aspergillus flavus 5059 Aspergillaceae Fungi
Atalantia ceylanica 76951 Rutaceae rosids Viridiplantae
Brachyclados megalanthus 460319 Asteraceae asterids Viridiplantae
Citrus meyeri 290854 Rutaceae rosids Viridiplantae
Clausena anisata 159034 Rutaceae rosids Viridiplantae
Cnidium monnieri 94007 Apiaceae asterids Viridiplantae
Esenbeckia yaxhoob Lundell 23513 Rutaceae rosids Viridiplantae
Ferula sumbul 371383 Apiaceae asterids Viridiplantae
Ferula syreitschikowii 52470 Apiaceae asterids Viridiplantae
Fragaria spp. 3746 Rosaceae rosids Viridiplantae
Heracleum asperum 380072 Apiaceae asterids Viridiplantae
Heracleum canescens 376873 Apiaceae asterids Viridiplantae
Heracleum dissectum 380073 Apiaceae asterids Viridiplantae
Heracleum granatense 40917 Apiaceae asterids Viridiplantae
Heracleum moellendorffii Hance 99507 Apiaceae asterids Viridiplantae
Heracleum moellendorffii Hance var.paucivitatum 40917 Apiaceae asterids Viridiplantae
Heracleum pinnatum 376875 Apiaceae asterids Viridiplantae
Heracleum ponticum 376867 Apiaceae asterids Viridiplantae
Heracleum sphondylium 40919 Apiaceae asterids Viridiplantae
Heracleum spp. 40917 Apiaceae asterids Viridiplantae
Heracleum woroschiklowii 40917 Apiaceae asterids Viridiplantae
Leptothyrsa sprucei 23513 Rutaceae rosids Viridiplantae
Ligusticum multivittatum 49551 Apiaceae asterids Viridiplantae
Niphogeton ternata 681593 Apiaceae asterids Viridiplantae
Opopanax chironium 63018 Apiaceae asterids Viridiplantae
Orixa japonica 354507 Rutaceae rosids Viridiplantae
Pastinaca spp. 4040 Apiaceae asterids Viridiplantae
Peucedanum dhana 1074461 Apiaceae asterids Viridiplantae
Poncirus trifoliata 37690 Rutaceae rosids Viridiplantae
Prangos bucharica 52496 Apiaceae asterids Viridiplantae
Prangos pabularia 52497 Apiaceae asterids Viridiplantae
Ptelea trifolia 210335 Rutaceae rosids Viridiplantae
Saposhnikovia divaricata Schischkin 203716 Apiaceae asterids Viridiplantae
Seseli tortuosum LBS.Eur. 40951 Apiaceae asterids Viridiplantae
Seseli webbii Cosson. 40951 Apiaceae asterids Viridiplantae

Human Protein / Gene in interaction

18 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P49798 Regulator of G-protein signaling 4 Unclassified protein CHEMBL453805 CHEMBL1794499 (1)
2 / 0
P10253 Lysosomal alpha-glucosidase Hydrolase CHEMBL453805 CHEMBL1614103 (1) CHEMBL1614031 (1)
1 / 1
P34969 5-hydroxytryptamine receptor 7 Serotonin receptor CHEMBL453805 CHEMBL977664 (1)
0 / 0
P51452 Dual specificity protein phosphatase 3 Ser_Thr_Tyr CHEMBL453805 CHEMBL1918613 (1)
0 / 0
P11473 Vitamin D3 receptor NR1I1 CHEMBL453805 CHEMBL1794311 (1)
2 / 3
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL453805 CHEMBL1614458 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL453805 CHEMBL2114931 (1)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL453805 CHEMBL1738610 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL453805 CHEMBL1794467 (1)
0 / 0
P35236 Tyrosine-protein phosphatase non-receptor type 7 Tyr CHEMBL453805 CHEMBL1918616 (1)
0 / 0
P56817 Beta-secretase 1 A1A CHEMBL453805 CHEMBL1073480 (2) CHEMBL1936881 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL453805 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL453805 CHEMBL1737991 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL453805 CHEMBL1614211 (1)
0 / 0
O00167 Eyes absent homolog 2 Enzyme CHEMBL453805 CHEMBL1614315 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL453805 CHEMBL1738442 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL453805 CHEMBL1964002 (1)
1 / 0
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL453805 CHEMBL2354287 (1)
1 / 1

CTD interaction (3)

compound gene gene name gene description interaction interaction type form reference
pmid
C031534 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) imperatorin inhibits the reaction [CYP1B1 protein results in increased oxidation of benzo(a)pyrene 7,8-dihydrodiol] decreases reaction
/ increases oxidation
protein 15861043
C031534 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) imperatorin results in decreased activity of CYP1B1 protein decreases activity
protein 15861043
C031534 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) imperatorin results in decreased activity of CYP1B1 protein polymorphism decreases activity
protein 15861043

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (7)

OMIM preferred title UniProt
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#137800 Glioma susceptibility 1; glm1 O75874
#232300 Glycogen storage disease ii P10253
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (6)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H00069 Glycogen storage diseases (GSD) P10253 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (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 C031534 Drug-Induced Liver Injury marker/mechanism
22173200