Dihydrocarvone
PubChem CID: 24473
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| Compound Synonyms | Dihydrocarvone, 7764-50-3, (+)-Dihydrocarvone, p-Menth-8-en-2-one, 1,6-Dihydrocarvone, 2-METHYL-5-(1-METHYLETHENYL)CYCLOHEXANONE, 8-p-Menthen-2-one, 2-methyl-5-prop-1-en-2-ylcyclohexan-1-one, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, 2-Methyl-5-(Prop-1-En-2-Yl)Cyclohexan-1-One, Menth-8-en-2-one, p-Menth-8(9)-en-2-one, EINECS 231-857-0, 2-Methyl-5-(1-methylvinyl)cyclohexan-1-one, 2-methyl-5-isopropenylcyclohexanone, 5-Isopropenyl-2-methylcyclohexanone, 2-methyl-5-(prop-1-en-2-yl)cyclohexanone, CHEBI:23733, 3-isopropenyl-6-methylcyclohexanone, 5948-04-9, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-rel-, Dihydrocarvone, (+)-, UNII-YQS5CW1O1J, a dihydrocarvone, an isodihydrocarvone, 2-Methyl-5-(1-methylethenyl)-Cyclohexanone, YQS5CW1O1J, Cyclohexanone,2-methyl-5-(1-methylethenyl)-, (2S,5R)-2-methyl-5-(1-methylethenyl)-1-cyclohexanone, SCHEMBL309206, FEMA 3565, DTXSID00863556, BCP30885, FAA52405, MFCD00001636, 5-Isopropenyl-2-methylcyclohexanone #, AKOS015907251, P-MENTH-8-EN-2-ONE [FHFI], LS-13847, DB-071963, CS-0031698, NS00012230, C18018, E76541, 2-Methyl-5-(1-methylethenyl)cyclohexanone, 9CI, Q27109809 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | Flavouring agent with spearmint-like flavour. Dihydrocarvone is found in many foods, some of which are dill, peppermint, pepper (spice), and caraway. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 181.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-prop-1-en-2-ylcyclohexan-1-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AZOCECCLWFDTAP-UHFFFAOYSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.151 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.613 |
| Synonyms | 1,6-Dihydrocarvone, 2-Methyl-5-(1-methylethenyl)-cyclohexanone, 2-Methyl-5-(1-methylethenyl)cyclohexanone, 2-Methyl-5-(1-methylethenyl)cyclohexanone, 9CI, 2-Methyl-5-(1-methylvinyl)cyclohexan-1-one, 2-methyl-5-(prop-1-en-2-yl)cyclohexanone, 2-methyl-5-isopropenylcyclohexanone, 5-Isopropenyl-2-methylcyclohexanone, 8-p-Menthen-2-one, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, Dihydrocarvone, FEMA 3565, p-Menth-8(9)-en-2-one, 2-Methyl-5-isopropenylcyclohexanone, Menth-8-en-2-one, 3-Isopropenyl-6-methylcyclohexanone, p-Menth-8-en-2-one, a Dihydrocarvone, 2-Methyl-5-(1-methylethenyl)cyclohexanone, 9ci, 2-Methyl-5-(prop-1-en-2-yl)cyclohexanone |
| Compound Name | Dihydrocarvone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -2.5133694 |
| Inchi | InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3 |
| Smiles | CC1CCC(CC1=O)C(=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 12. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all