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Carvone, (+)-

PubChem CID: 16724

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Compound Synonyms d-Carvone, 2244-16-8, (S)-(+)-Carvone, (+)-Carvone, (S)-Carvone, (S)-2-Methyl-5-(prop-1-en-2-yl)cyclohex-2-enone, Carvone, (+)-, D(+)-Carvone, (+)-(S)-Carvone, D-(+)-Carvone, (S)-(+)-p-Mentha-6,8-dien-2-one, S-(+)-carvone, Carvol, d-Carvone (natural), (+)-(4S)-carvone, (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one, p-Mentha-6,8-dien-2-one, (S)-(+)-, 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5S)-, CCRIS 2385, d-1-Methyl-4-isopropenyl-6-cyclohexen-2-one, CHEBI:15399, UNII-4RWC1CMS3X, 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-, 4RWC1CMS3X, (S)-d-p-Mentha-6,8,(9)-dien-2-one, (S)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-one, EINECS 218-827-2, (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one, d-p-Mentha-6,8,(9)-dien-2-one, (4S)-carvone, DTXSID8020256, AI3-39004, CARVONE D-, CARVONE, D-, MFCD00062997, 2-Methyl-4-(1 -methylethenyl)-2-cyclohexene-1 -one, DTXCID00256, (5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one, (S)-2-methyl-5-(1-methylethenyl)-2-Cyclohexen-1-one, (S)-5-isopropenyl-2-methylcyclohex-2-en-1-one, d-p-Mentha-6,8(9)-dien-2-one, (4S)-p-mentha-1(6),8-dien-2-one, FEMA NO. 2249, (+)-, (S)-5-Isopropenyl-2-methyl-2-cyclohexenone, (5S)-2-methyl-5-(1-methylethenyl)cyclohex-2-en-1-one, Talent, CAS-2244-16-8, (S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one, s-carvone, d-carvon, D-?Carvone, (+)carvone, S(+)-Carvone, D-CARVOL, CARVONE D-FORM, Epitope ID:141510, CARVONE D-FORM [MI], MLS002415723, SCHEMBL184022, (+)-CARVONE [FCC], D-Carvone, >=96%, FG, CHEMBL501949, (5S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one, (S)-(+)-Carvone (Standard), (S)-(+)-Carvone, 96%, (+)-Carvone, analytical standard, HMS3039E10, HY-W013579R, Tox21_201441, Tox21_302743, s6049, AKOS016843871, CS-W014295, DS-4662, HY-W013579, NCGC00091882-01, NCGC00091882-02, NCGC00091882-03, NCGC00091882-04, NCGC00256315-01, NCGC00258992-01, DA-69250, SMR001370898, NS00067074, EN300-393032, O10215, 5-Isopropenyl-2-methyl-2-cyclohexen-1-one, (S)-, Q27889969, Z1255356261, (+)-Carvone, certified reference material, TraceCERT(R), D-Carvone 2-Methyl-5-(1-methylethenyl)-2-cyclohexene-1-one, 218-827-2
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCCCC1
Np Classifier Class Menthane monoterpenoids
Deep Smiles CC=C)[C@H]CC=CC=O)C6))C
Heavy Atom Count 11.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level OC1CCCCC1
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 223.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id Q03164, P00352, P10828, P49798, Q16236, P51449, O42275, Q13148
Iupac Name (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Target Id NPT94
Xlogp 2.4
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Gsk 4 400 Rule True
Molecular Formula C10H14O
Scaffold Graph Node Bond Level O=C1C=CCCC1
Prediction Swissadme 0.0
Inchi Key ULDHMXUKGWMISQ-VIFPVBQESA-N
Silicos It Class Soluble
Fcsp3 0.5
Logs -1.594
Rotatable Bond Count 1.0
State Liquid
Logd 1.18
Synonyms (+)-(4S)-Carvone, (+)-(S)-Carvone, (5S)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one, (S)-(+)-Carvone, (S)-(+)-p-Mentha-6,8-dien-2-one, (S)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one, (S)-2-Methyl-5-(1-methylvinyl)cyclohex-2-en-1-one, (S)-5-Isopropenyl-2-methylcyclohex-2-en-1-one, Carvol, Carvone, D-(+)-Carvone, D-Carvone, (+)-Carvone, 2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one, D-p-Mentha-6,8(9)-dien-2-one, (S)-Carvone, (+)-(s)-carvone, (+)-carvone, (s)(+)carvone, carvone+
Esol Class Soluble
Functional Groups C=C(C)C, CC=C(C)C(C)=O
Compound Name Carvone, (+)-
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 150.104
Formal Charge 0.0
Monoisotopic Mass 150.104
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 150.22
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.4126702
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
Smiles CC1=CC[C@@H](CC1=O)C(=C)C
Nring 1.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Menthane monoterpenoids
Np Classifier Superclass Monoterpenoids

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