Summary

IMPPAT Phytochemical identifier: IMPHY017359

Phytochemical name: Longipinene epoxide

Synonymous chemical names:
longipinene epoxide

External chemical identifiers:
CID:534552

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Chemical structure information

SMILES:
CC1(C)CCCC2(C3C1C2C1(C(C3)O1)C)C

InChI:
InChI=1S/C15H24O/c1-13(2)6-5-7-14(3)9-8-10-15(4,16-10)12(14)11(9)13/h9-12H,5-8H2,1-4H3

InChIKey:
YIUOYFADMDRLEE-UHFFFAOYSA-N

DeepSMILES:
CCC)CCCCCC7C4CCC6)O3))C)))))C

Functional groups:
CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3CC4OC4C2C3C1

Scaffold Graph/Node level:
C1CCC2C3CC4OC4C2C3C1

Scaffold Graph level:
C1CCC2C3CC4CC4C2C3C1

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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: Longipinane sesquiterpenoids

NP-Likeness score: 3.387

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Chemical structure download