Summary

IMPPAT Phytochemical identifier: IMPHY011465

Phytochemical name: Cannabispirol

Synonymous chemical names:
alpha-cannabispiranol, beta cannabispiranol, cannabispirol, β-cannabispiranol

External chemical identifiers:
CID:194174, ZINC:ZINC000003647987, SureChEMBL:SCHEMBL12954544

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)CCC12CCC(CC1)O

InChI:
InChI=1S/C15H20O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h8-9,11,16-17H,2-7H2,1H3

InChIKey:
ZFFYHYZOCYEEPL-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)CCC5CCCCC6))O

Functional groups:
CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC21CCCCC1

Scaffold Graph/Node level:
C1CCC2(CC1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2(CC1)CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

ClassyFire Subclass: Indan-1-spirocyclohexanes

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.487

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Chemical structure download