Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002754

Phytochemical name: d-Carvone

Synonymous chemical names:
carvone+, (+)-carvone, (+)-(s)-carvone, Carvone, (+)-, (s)(+)carvone

External chemical identifiers:
CID:CID_16724, ChEMBL:CHEMBL501949, ChEBI:CHEBI:15399, ZINC:ZINC000000968102, FDASRS:4RWC1CMS3X, SureChEMBL:SCHEMBL184022, MolPort-001-769-671

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Chemical structure information

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

InChI:
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1

InChIKey:
ULDHMXUKGWMISQ-VIFPVBQESA-N

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

Functional groups:
C=C(C)C, CC=C(C)C(=O)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

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: 2.301

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Chemical structure download