Summary

IMPPAT Phytochemical identifier: IMPHY006499

Phytochemical name: Vitispirane

Synonymous chemical names:
2,10,10-trimethyl-6-methylidene-1-oxaspiro[4,5]dec-7-ene, vitispirane, vitispiranes

External chemical identifiers:
CID:6450832

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Chemical structure information

SMILES:
CC1CCC2(O1)C(=C)C=CCC2(C)C

InChI:
InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3

InChIKey:
DUPDJVDPPBFBPL-UHFFFAOYSA-N

DeepSMILES:
CCCCCO5)C=C)C=CCC6C)C

Functional groups:
C=C(C)C=CC, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCC12CCCO2

Scaffold Graph/Node level:
CC1CCCCC12CCCO2

Scaffold Graph level:
CC1CCCCC12CCCC2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrahydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Megastigmanes

NP-Likeness score: 2.548

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Chemical structure download