Summary

IMPPAT Phytochemical identifier: IMPHY006195

Phytochemical name: Cannabistilbene II

Synonymous chemical names:
cannabistilbene ii, cannabistilbene-ii

External chemical identifiers:
CID:6439895

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Chemical structure information

SMILES:
COC1=CC(/C=C/c2ccc(c(c2OC)O)OC)CC(=C1)O

InChI:
InChI=1S/C17H20O5/c1-20-14-9-11(8-13(18)10-14)4-5-12-6-7-15(21-2)16(19)17(12)22-3/h4-7,9-11,18-19H,8H2,1-3H3/b5-4+

InChIKey:
LIAAUPRCZCWDAE-SNAWJCMRSA-N

DeepSMILES:
COC=CC/C=C/cccccc6OC)))O))OC))))))))CC=C6)O

Functional groups:
COC1=CCCC(O)=C1, c/C=C/C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC(C=Cc2ccccc2)C=C1

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: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 1.33

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Chemical structure download