Summary

IMPPAT Phytochemical identifier: IMPHY017525

Phytochemical name: 8,8-Dimethyl-4-methylene-1-oxaspiro[2.5]oct-5-ene

Synonymous chemical names:
8,8-dimethyl-4-methylene-1 oxoaspiro(2,5)-oct-5-ene

External chemical identifiers:
CID:585001

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Chemical structure information

SMILES:
C=C1C=CCC(C21CO2)(C)C

InChI:
InChI=1S/C10H14O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h4-5H,1,6-7H2,2-3H3

InChIKey:
AVBXGDSLHWBGTL-UHFFFAOYSA-N

DeepSMILES:
C=CC=CCCC6CO3)))C)C

Functional groups:
C=C1C=CCCC12CO2

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCC12CO2

Scaffold Graph/Node level:
CC1CCCCC12CO2

Scaffold Graph level:
CC1CCCCC12CC2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Epoxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 2.524

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Chemical structure download