Summary

IMPPAT Phytochemical identifier: IMPHY014343

Phytochemical name: 5,7-Dihydroxy-8,2',4',5'-tetramethoxy-6-prenylisoflavone

Synonymous chemical names:
6-prenylisocaviunin

External chemical identifiers:
CID:15730565, ZINC:ZINC000014438242

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Chemical structure information

SMILES:
COc1cc(OC)c(cc1c1coc2c(c1=O)c(O)c(c(c2OC)O)CC=C(C)C)OC

InChI:
InChI=1S/C24H26O8/c1-12(2)7-8-13-20(25)19-21(26)15(11-32-23(19)24(31-6)22(13)27)14-9-17(29-4)18(30-5)10-16(14)28-3/h7,9-11,25,27H,8H2,1-6H3

InChIKey:
PIYOXJNPMRGPBI-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6ccoccc6=O))cO)ccc6OC)))O))CC=CC)C)))))))))))))OC

Functional groups:
CC=C(C)C, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.634

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Chemical structure download