Summary

IMPPAT Phytochemical identifier: IMPHY010317

Phytochemical name: trans-2-Pinanol

Synonymous chemical names:
cis-pinene hydrate, pinene, cis, hydrate

External chemical identifiers:
CID:1268143, ZINC:ZINC000001081323, FDASRS:Q3IVK90KUD

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1

InChIKey:
YYWZKGZIIKPPJZ-QXFUBDJGSA-N

DeepSMILES:
C[C@@]O)CC[C@H]C[C@@H]6C4C)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: 2.781

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Chemical structure download