Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005431

Phytochemical name: Cannabistilbene I

Synonymous chemical names:
cannabistilbene-I and II, cannabistilbene i, Cannabistilbene-i

External chemical identifiers:
CID:CID_146349

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Chemical structure information

SMILES:
COc1cc(CCc2ccc(c(c2)CC=C(C)C)O)cc(c1)O

InChI:
InChI=1S/C20H24O3/c1-14(2)4-8-17-10-15(7-9-20(17)22)5-6-16-11-18(21)13-19(12-16)23-3/h4,7,9-13,21-22H,5-6,8H2,1-3H3

InChIKey:
PPIQDICARGCSMB-UHFFFAOYSA-N

DeepSMILES:
COcccCCcccccc6)CC=CC)C)))))O)))))))ccc6)O

Functional groups:
cOC, 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: 1.435

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Chemical structure download