Summary

IMPPAT Phytochemical identifier: IMPHY017327

Phytochemical name: p-Menthane-1,3-diol

Synonymous chemical names:
p-menthane-1,3-diol

External chemical identifiers:
CID:524005, SureChEMBL:SCHEMBL1870838

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Chemical structure information

SMILES:
CC(C1CCC(CC1O)(C)O)C

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

InChIKey:
IIZCEIWXLSJQFP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6O)))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: 2.513

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Chemical structure download