Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018146

Phytochemical name: Pinocampheol

Synonymous chemical names:
Pinocampheol

External chemical identifiers:
CID:CID_6428456, Molport-003-928-048

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Chemical structure information

SMILES:
O[C@@H]1CC2CC([C@H]1C)C2(C)C

InChI:
InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7?,8?,9-/m1/s1

InChIKey:
REPVLJRCJUVQFA-MDVIFZSFSA-N

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

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC(C1)C2

Scaffold Graph/Node level:
C1CC2CC(C1)C2

Scaffold Graph level:
C1CC2CC(C1)C2

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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: 2.474

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Chemical structure download