Summary

IMPPAT Phytochemical identifier: IMPHY003127

Phytochemical name: Cannabicyclol

Synonymous chemical names:
cannabicyclol

External chemical identifiers:
CID:30607, ChEMBL:CHEMBL154127, SureChEMBL:SCHEMBL455022

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Chemical structure information

SMILES:
CCCCCc1cc(O)c2c(c1)OC1(C3C2C(C3CC1)(C)C)C

InChI:
InChI=1S/C21H30O2/c1-5-6-7-8-13-11-15(22)17-16(12-13)23-21(4)10-9-14-18(21)19(17)20(14,2)3/h11-12,14,18-19,22H,5-10H2,1-4H3

InChIKey:
IGHTZQUIFGUJTG-UHFFFAOYSA-N

DeepSMILES:
CCCCCcccO)ccc6)OCCC6CC4CC7)))C)C))))C

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC1CCC3CC2C31

Scaffold Graph/Node level:
C1CCC2C(C1)OC1CCC3CC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCC3CC2C13

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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: 2.142

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Chemical structure download