PCIDB

KNApSAcK Metabolite C00004099

Metabolite

KNApSAcK Entry

id C00004099
Name Isocyclomulberrin / (+)-3,8,10-Trihydroxy-9-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
CAS RN 152186-79-3
Standard InChI InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-20-21(23(15)28)24(29)22-19(9-13(3)4)30-18-10-14(26)6-8-16(18)25(22)31-20/h5-6,8-11,19,26-28H,7H2,1-4H3
Standard InChI (Main Layer) InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-20-21(23(15)28)24(29)22-19(9-13(3)4)30-18-10-14(26)6-8-16(18)25(22)31-20/h5-6,8-11,19,26-28H,7H2,1-4H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 14

Link

ChEMBL

By standard InChI CHEMBL485976
By standard InChI Main Layer CHEMBL485976

KEGG

By LinkDB

CTD

By CAS RN