Summary

IMPPAT Phytochemical identifier: IMPHY015968

Phytochemical name: Longipinocarveol, trans-

Synonymous chemical names:
longipinocarveol,trans-, trans-longipinocarveol

External chemical identifiers:
CID:534645

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Chemical structure information

SMILES:
OC1CC2CC3(C1=C)C2(C)CCCC3(C)C

InChI:
InChI=1S/C15H24O/c1-10-12(16)8-11-9-15(10)13(2,3)6-5-7-14(11,15)4/h11-12,16H,1,5-9H2,2-4H3

InChIKey:
QZIBYWPRLPFUFP-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC6=C))C4C)CCCC6C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC13CCCCC23

Scaffold Graph/Node level:
CC1CCC2CC13CCCCC23

Scaffold Graph level:
CC1CCC2CC13CCCCC23

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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: Longifolane sesquiterpenoids

NP-Likeness score: 2.531

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Chemical structure download