Summary

IMPPAT Phytochemical identifier: IMPHY016803

Phytochemical name: p-Menthane-1,2,3-triol

Synonymous chemical names:
p-menthane-1,2,3-triol

External chemical identifiers:
CID:539044

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Chemical structure information

SMILES:
CC(C1CCC(C(C1O)O)(C)O)C

InChI:
InChI=1S/C10H20O3/c1-6(2)7-4-5-10(3,13)9(12)8(7)11/h6-9,11-13H,4-5H2,1-3H3

InChIKey:
NVGQNYUHEDOFOJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6O))O))C)O)))))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: 2.542

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Chemical structure download