Summary

IMPPAT Phytochemical identifier: IMPHY004065

Phytochemical name: Cannabichromene

Synonymous chemical names:
cannabichromane, cannabichrome, cannabichromene

External chemical identifiers:
CID:30219, ChEMBL:CHEMBL422704, ChEBI:3357, FDASRS:K4497H250W, SureChEMBL:SCHEMBL144938, MolPort-039-052-650

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Chemical structure information

SMILES:
CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(c1)O

InChI:
InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

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

Functional groups:
CC=C(C)C, 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: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Cannabinoids

NP-Likeness score: 2.912

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Chemical structure download