PCIDB

KNApSAcK Metabolite C00009915

Metabolite

KNApSAcK Entry

id C00009915
Name Isochandalone / 5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone
CAS RN 121747-90-8
Standard InChI InChI=1S/C25H24O5/c1-14(2)5-7-17-19(26)12-21-22(23(17)27)24(28)18(13-29-21)15-6-8-20-16(11-15)9-10-25(3,4)30-20/h5-6,8-13,26-27H,7H2,1-4H3
Standard InChI (Main Layer) InChI=1S/C25H24O5/c1-14(2)5-7-17-19(26)12-21-22(23(17)27)24(28)18(13-29-21)15-6-8-20-16(11-15)9-10-25(3,4)30-20/h5-6,8-13,26-27H,7H2,1-4H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 18

Link

ChEMBL

By standard InChI CHEMBL460441
By standard InChI Main Layer CHEMBL460441

KEGG

By LinkDB

CTD

By CAS RN