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(+)-Dihydrocarvone

PubChem CID: 22227

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Compound Synonyms 5524-05-0, (+)-Dihydrocarvone, d-Dihydrocarvone, (1R,4R)-Dihydrocarvone, (E)-dihydrocarvone, (+)-trans-dihydrocarvone, (2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexanone, CHEBI:154, VTA43H364Z, (1R,4R)-(+)-Dihydrocarvone, (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one, (2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexan-1-one, (2R-trans)-2-Methyl-5-(1-methylvinyl)cyclohexan-1-one, EINECS 226-872-4, Dihydrocarvone, (+)-trans-, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-, (2R,5R)-2-methyl-5-isopropenylcyclohexanone, (2R,5R)-5-Isopropenyl-2-methylcyclohexanone, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R-trans)-, DTXSID80881218, (1R,4R)-p-menth-8-en-2-one, DIHYDROCARVONE, TRANS-(+)-, trans-2-Methyl-5-(1-methylethenyl)cyclohexanone, (+)-Dihydrocarvone (Mixture of (2S)/(2R) isomers), Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans-, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2theta-trans)-, Dihydrocarvone, (+)-, 5948-04-9, UNII-VTA43H364Z, (+) dihydrocarvone, MFCD28125830, D-(+)-dihydrocarvone, (+/-)-dihydrocarvone, trans-(+)-dihydrocarvone, DIHYDROCARVONE, D-, Epitope ID:141511, SCHEMBL437688, CHEMBL2268553, HY-N8491A, DTXSID60895818, DTXCID001022536, (+)-DIHYDROCARVONE [FCC], AKOS022185050, LMPR0102090033, AS-63585, CS-0227296, NS00080537, E85246, EN300-1608630, Q27105262
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[C@H]C=O)C6))C
Heavy Atom Count 11.0
Classyfire Class Prenol lipids
Description (1r,4r)-dihydrocarvone, also known as (2r,5r)-2-methyl-5-isopropenylcyclohexanone, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Thus, (1r,4r)-dihydrocarvone is considered to be an isoprenoid lipid molecule (1r,4r)-dihydrocarvone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (1r,4r)-dihydrocarvone is a herbal and minty tasting compound found in spearmint, which makes (1r,4r)-dihydrocarvone a potential biomarker for the consumption of this food product.
Scaffold Graph Node Level OC1CCCCC1
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 181.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 2.7
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Gsk 4 400 Rule True
Molecular Formula C10H16O
Scaffold Graph Node Bond Level O=C1CCCCC1
Prediction Swissadme 0.0
Inchi Key AZOCECCLWFDTAP-RKDXNWHRSA-N
Silicos It Class Soluble
Fcsp3 0.7
Rotatable Bond Count 1.0
Synonyms (+)-Dihydrocarvone, (+)-trans-Dihydrocarvone, (1R,4R)-(+)-Dihydrocarvone, (1R,4R)-Dihydrocarvone, (1R,4R)-p-menth-8-en-2-one, (2R-trans)-2-Methyl-5-(1-methylvinyl)cyclohexan-1-one, (2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexanone, (2R,5R)-2-methyl-5-isopropenylcyclohexanone, (2R,5R)-5-isopropenyl-2-methylcyclohexanone, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R-trans)-, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-, D-dihydrocarvone, p-Menth-8-en-2-one, (+)- (8CI), (+/-)-Dihydrocarvone, Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-rel-, p-Menth-8-en-2-one, E-, p-Menth-8-en-2-one, trans-, trans-Dihydrocarvone, trans-p-Menth-8-en-2-one, (2R,5R)-2-Methyl-5-isopropenylcyclohexanone, (2R,5R)-5-Isopropenyl-2-methylcyclohexanone, D-Dihydrocarvone, (+)-dihydrocarvone, (e )-dihydrocarvone*****, (e)-dihydrocarvone, d-dihydrocarvone, dihydrocarvone
Esol Class Soluble
Functional Groups C=C(C)C, CC(C)=O
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
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homomonocyclic compounds
Lipinski Rule Of 5 True
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/t8-,9-/m1/s1
Smiles C[C@@H]1CC[C@H](CC1=O)C(=C)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Menthane monoterpenoids
Np Classifier Superclass Monoterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Amomum Testaceum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699621
  • 2. Outgoing r'ship FOUND_IN to/from Anethum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Anethum Sowa (Plant) Rel Props:Reference:ISBN:9788172361150
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  • 6. Outgoing r'ship FOUND_IN to/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Artemisia Dracunculus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Astilbe Koreana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Boronia Muelleri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1563
  • 11. Outgoing r'ship FOUND_IN to/from Cannabis Sativa (Plant) Rel Props:Reference:ISBN:9788172363130
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  • 14. Outgoing r'ship FOUND_IN to/from Cassia Carnaval (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 17. Outgoing r'ship FOUND_IN to/from Citrus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1790
  • 18. Outgoing r'ship FOUND_IN to/from Citrus Reticulata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1790
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  • 21. Outgoing r'ship FOUND_IN to/from Colchicum Macedonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Coprosma Acerosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Coptis Deltoidea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1256234
  • 25. Outgoing r'ship FOUND_IN to/from Cranfillia Vulcanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 27. Outgoing r'ship FOUND_IN to/from Cymbopogon Martini (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788171360536; ISBN:9788185042114
  • 28. Outgoing r'ship FOUND_IN to/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 31. Outgoing r'ship FOUND_IN to/from Dillenia Papuana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 32. Outgoing r'ship FOUND_IN to/from Dracocephalum Moldavica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
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  • 34. Outgoing r'ship FOUND_IN to/from Euphorbia Caducifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Ficus Elastica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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  • 38. Outgoing r'ship FOUND_IN to/from Ilex Kaushue (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Inula Thapsoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 40. Outgoing r'ship FOUND_IN to/from Kaunia Arbuscularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 42. Outgoing r'ship FOUND_IN to/from Limeum Pterocarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 43. Outgoing r'ship FOUND_IN to/from Lippia Alba (Plant) Rel Props:Reference:ISBN:9770972795006
  • 44. Outgoing r'ship FOUND_IN to/from Lupinus Formosus (Plant) Rel Props:Source_db:npass_chem_all
  • 45. Outgoing r'ship FOUND_IN to/from Mentha Longifolia (Plant) Rel Props:Source_db:fooddb_chem_all
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  • 48. Outgoing r'ship FOUND_IN to/from Nigella Sativa (Plant) Rel Props:Reference:ISBN:9770972795006
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  • 52. Outgoing r'ship FOUND_IN to/from Oxandra Xylopioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 53. Outgoing r'ship FOUND_IN to/from Palicourea Alpina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 54. Outgoing r'ship FOUND_IN to/from Persicaria Thunbergii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 55. Outgoing r'ship FOUND_IN to/from Petroselinum Crispum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 56. Outgoing r'ship FOUND_IN to/from Posoqueria Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 57. Outgoing r'ship FOUND_IN to/from Rhodomyrtus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 58. Outgoing r'ship FOUND_IN to/from Salix Sieboldiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 59. Outgoing r'ship FOUND_IN to/from Salvia Xalapensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 60. Outgoing r'ship FOUND_IN to/from Sambucus Ebulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 61. Outgoing r'ship FOUND_IN to/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697907
  • 62. Outgoing r'ship FOUND_IN to/from Satureja Hortensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712206
  • 63. Outgoing r'ship FOUND_IN to/from Scrophularia Smithii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 64. Outgoing r'ship FOUND_IN to/from Solanum Torvum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 65. Outgoing r'ship FOUND_IN to/from Tanacetum Santolinoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 66. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:ISBN:9788172363093
  • 67. Outgoing r'ship FOUND_IN to/from Thymus Kotschyanus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199911/12)14:6<405::aid-ffj853>3.0.co;2-m
  • 68. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1025296
  • 69. Outgoing r'ship FOUND_IN to/from Trifolium Alexandrium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 70. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 71. Outgoing r'ship FOUND_IN to/from Tylophora Flava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 72. Outgoing r'ship FOUND_IN to/from Wunderlichia Mirabilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 73. Outgoing r'ship FOUND_IN to/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 74. Outgoing r'ship FOUND_IN to/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all
  • 75. Outgoing r'ship FOUND_IN to/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 76. Outgoing r'ship FOUND_IN to/from Zilla Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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