IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
(-)-Carvomenthone
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY013764
Phytochemical name:
(-)-Carvomenthone
Synonymous chemical names:
carvone, trans-dihydro, trans-dihydrocarvone, trans-dihydrocarvone*
External chemical identifiers:
CID:6432474
,
ChEBI:167338
,
ZINC:ZINC000001626973
,
FDASRS:9089X37X82
Chemical structure information
SMILES:
CC([C@H]1CC[C@@H](C(=O)C1)C)C
InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKey:
GCRTVIUGJCJVDD-IUCAKERBSA-N
DeepSMILES:
CC[C@H]CC[C@@H]C=O)C6))C)))))C
Functional groups:
CC(C)=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCCCC1
Scaffold Graph/Node level:
OC1CCCCC1
Scaffold Graph level:
CC1CCCCC1
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:
1.623
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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