Summary

IMPPAT Phytochemical identifier: IMPHY002341

Phytochemical name: (1S,4s,8s)-8,9-dihydroxytetrahydrocarvone

Synonymous chemical names:
(1s,4s,8s)-8,9-dihydroxytetrahydrocarvone

Chemical structure information

SMILES:
OC[C@]([C@H]1CC[C@@H](C(=O)C1)C)(O)C

InChI:
InChI=1S/C10H18O3/c1-7-3-4-8(5-9(7)12)10(2,13)6-11/h7-8,11,13H,3-6H2,1-2H3/t7-,8-,10+/m0/s1

InChIKey:
JICIVEUAPHTTNP-OYNCUSHFSA-N

DeepSMILES:
OC[C@][C@H]CC[C@@H]C=O)C6))C)))))O)C

Functional groups:
CC(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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

NP-Likeness score: 2.215

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Chemical structure download