Summary

IMPPAT Phytochemical identifier: IMPHY009706

Phytochemical name: Isoledene

Synonymous chemical names:
isoledene

External chemical identifiers:
CID:530426

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Chemical structure information

SMILES:
CC1CCC2C(C3=C1CCC3C)C2(C)C

InChI:
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9-10,12,14H,5-8H2,1-4H3

InChIKey:
NUQDPKOFUKFKFD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=C7CCC5C))))))C3C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2=C(C1)C1CC1CCC2

Scaffold Graph/Node level:
C1CC2CCCC2C2CC2C1

Scaffold Graph level:
C1CC2CCCC2C2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Aromadendrane sesquiterpenoids

NP-Likeness score: 2.25

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Chemical structure download