Summary

IMPPAT Phytochemical identifier: IMPHY000284

Phytochemical name: Cannabichromevarinic acid

Synonymous chemical names:
cannabichromevarinic acid

External chemical identifiers:
CID:11110322, SureChEMBL:SCHEMBL13214114

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Chemical structure information

SMILES:
CCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1C(=O)O)O

InChI:
InChI=1S/C20H26O4/c1-5-7-14-12-16-15(18(21)17(14)19(22)23)9-11-20(4,24-16)10-6-8-13(2)3/h8-9,11-12,21H,5-7,10H2,1-4H3,(H,22,23)

InChIKey:
OIVPAQDCMDYIIL-UHFFFAOYSA-N

DeepSMILES:
CCCcccOCC)CCC=CC)C)))))C=Cc6cc%10C=O)O)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=Cc2ccccc2OC1

Scaffold Graph/Node level:
C1CCC2OCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Cannabinoids

NP-Likeness score: 2.91

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Chemical structure download