Summary

IMPPAT Phytochemical identifier: IMPHY001245

Phytochemical name: 3,3',4,5'-Tetrahydroxy-4',5-diprenylbibenzyl

Synonymous chemical names:
alphaalpha-dihydro-3534-tetrahydroxy-45-diisopentenylstilbene

External chemical identifiers:
CID:10362492, ChEMBL:CHEMBL465164, ZINC:ZINC000015115160

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Chemical structure information

SMILES:
CC(=CCc1c(O)cc(cc1O)CCc1cc(O)c(c(c1)CC=C(C)C)O)C

InChI:
InChI=1S/C24H30O4/c1-15(2)5-9-19-11-17(14-23(27)24(19)28)7-8-18-12-21(25)20(22(26)13-18)10-6-16(3)4/h5-6,11-14,25-28H,7-10H2,1-4H3

InChIKey:
JRPUARBDPKCBGO-UHFFFAOYSA-N

DeepSMILES:
CC=CCccO)cccc6O)))CCcccO)ccc6)CC=CC)C)))))O)))))))))))))C

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

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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: 1.412

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Chemical structure download