Summary

IMPPAT Phytochemical identifier: IMPHY000318

Phytochemical name: 3,3',5'-Trihydroxy-4-methoxy-5-prenylbibenzyl

Synonymous chemical names:
alphaalpha-dihydro-353-trihydroxy-4-methoxy-5-isopentenylstilbene

External chemical identifiers:
CID:11023938, ChEMBL:CHEMBL465043, ZINC:ZINC000015115158

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Chemical structure information

SMILES:
COc1c(O)cc(cc1CC=C(C)C)CCc1cc(O)cc(c1)O

InChI:
InChI=1S/C20H24O4/c1-13(2)4-7-16-8-14(11-19(23)20(16)24-3)5-6-15-9-17(21)12-18(22)10-15/h4,8-12,21-23H,5-7H2,1-3H3

InChIKey:
CUVVBEWXVFROAW-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6CC=CC)C))))))CCcccO)ccc6)O

Functional groups:
CC=C(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 1.562

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Chemical structure download