PCIDB

KNApSAcK Metabolite C00014481

Metabolite

KNApSAcK Entry

id C00014481
Name Demethoxyisogemichalcone C / 3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone
CAS RN 376362-05-9
Standard InChI InChI=1S/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3/b13-7+,15-5+,18-2+
Standard InChI (Main Layer) InChI=1S/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1706

Link

ChEMBL

By standard InChI CHEMBL514745
By standard InChI Main Layer CHEMBL514745

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Moraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Broussonetia papyrifera 172644 Moraceae rosids Viridiplantae

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P11511 Cytochrome P450 19A1 Cytochrome P450 19A1 CHEMBL514745 CHEMBL949646 (1)
2 / 2

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#613546 Aromatase deficiency P11511
#139300 Aromatase excess syndrome; aexs P11511

KEGG DISEASE (2)

KEGG disease name UniProt
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P11511 (related)
H00794 Aromatase excess syndrome P11511 (related)