Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018079

Phytochemical name: (+)-Neoisodihydrocarveol

Synonymous chemical names:
(+)-Neoisodihydrocarveol

External chemical identifiers:
CID:CID_443166, ChEBI:CHEBI:50232, ZINC:ZINC000000967811, FDASRS:A3V1C5WF34, SureChEMBL:SCHEMBL15012397

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1

InChIKey:
KRCZYMFUWVJCLI-IVZWLZJFSA-N

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

Functional groups:
CO, C=C(C)C

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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

NP-Likeness score: 2.547

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Chemical structure download