Summary

IMPPAT Phytochemical identifier: IMPHY009992

Phytochemical name: Isodaucene

Synonymous chemical names:
isodaucene

External chemical identifiers:
CID:73809332

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Chemical structure information

SMILES:
CC1=CCC2(C(CC1)C(CC2)C(=C)C)C

InChI:
InChI=1S/C15H24/c1-11(2)13-8-10-15(4)9-7-12(3)5-6-14(13)15/h7,13-14H,1,5-6,8-10H2,2-4H3

InChIKey:
RLNLRKHTQIXWHM-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCCC7))CCC5))C=C)C))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCC2CC1

Scaffold Graph level:
C1CCC2CCCC2CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Daucane sesquiterpenoids, Isodaucane sesquiterpenoids

NP-Likeness score: 3.464

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Chemical structure download