Summary

IMPPAT Phytochemical identifier: IMPHY003150

Phytochemical name: Acetylcannabispirol

Synonymous chemical names:
acetylcannabispiral, acetylcannabispirol

External chemical identifiers:
CID:25141336, ZINC:ZINC000013383043

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)CCC12CCC(CC1)OC(=O)C

InChI:
InChI=1S/C17H22O4/c1-11(18)21-13-4-7-17(8-5-13)6-3-12-9-14(20-2)10-15(19)16(12)17/h9-10,13,19H,3-8H2,1-2H3

InChIKey:
MNFMEFPMUGWNCI-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)CCC5CCCCC6))OC=O)C

Functional groups:
COC(C)=O, 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: 1.511

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Chemical structure download