Summary

IMPPAT Phytochemical identifier: IMPHY009737

Phytochemical name: beta-Longipinene

Synonymous chemical names:
beta-longipinene, β-lofoline, β-longipinene

External chemical identifiers:
CID:25203064

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Chemical structure information

SMILES:
C=C1CCC2C3C1C2(C)CCCC3(C)C

InChI:
InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h11-13H,1,5-9H2,2-4H3

InChIKey:
DQOVXHMHLOWECL-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6C4C)CCCC7C)C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2C3CCCCC2C13

Scaffold Graph/Node level:
CC1CCC2C3CCCCC2C13

Scaffold Graph level:
CC1CCC2C3CCCCC2C13

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Longipinane sesquiterpenoids

NP-Likeness score: 3.111

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Chemical structure download