Summary

IMPPAT Phytochemical identifier: IMPHY012265

Phytochemical name: (1r,3s,5r)-6,6-Dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol

Synonymous chemical names:
l-pinocarveol, pinocarveol, trans, rrans- pinocarveol, trans pinocarveol, trans- pinocarveol, trans-pinocarveol

External chemical identifiers:
CID:88302, ZINC:ZINC000005455871, FDASRS:993483H55R, SureChEMBL:SCHEMBL14484474, MolPort-033-355-978

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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+/m1/s1

InChIKey:
LCYXQUJDODZYIJ-VGMNWLOBSA-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