Summary

IMPPAT Phytochemical identifier: IMPHY016013

Phytochemical name: (-)-trans-Pinocarveol

Synonymous chemical names:
e-pinocarveol

External chemical identifiers:
CID:1201530, ChEBI:83263, ZINC:ZINC000000968034, FDASRS:Q1Q22IWX84, SureChEMBL:SCHEMBL891743, MolPort-002-525-311

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Chemical structure information

SMILES:
C=C1[C@H](O)C[C@@H]2C[C@H]1C2(C)C

InChI:
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7-,8+,9+/m0/s1

InChIKey:
LCYXQUJDODZYIJ-DJLDLDEBSA-N

DeepSMILES:
C=C[C@H]O)C[C@@H]C[C@H]6C4C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CC1C2

Scaffold Graph/Node level:
CC1CCC2CC1C2

Scaffold Graph level:
CC1CCC2CC1C2

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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: Monoterpenoids

NP Classifier Class: Pinane monoterpenoids

NP-Likeness score: 3.129

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Chemical structure download