Summary

IMPPAT Phytochemical identifier: IMPHY016061

Phytochemical name: (+)-p-Menthane-3,8-diol

Synonymous chemical names:
(+)-p-menthane-3,8-diol

External chemical identifiers:
CID:101372332

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Chemical structure information

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

InChI:
InChI=1S/C10H20O2/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7-12H,3-6H2,1-2H3/t7-,8?,9+,10-/m0/s1

InChIKey:
BINZTUGHCIRHLP-GCIYTXSZSA-N

DeepSMILES:
OCC[C@H]CC[C@@H]C[C@@H]6O)))C)))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.083

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Chemical structure download