Piperitenone
PubChem CID: 381152
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Piperitenone, 491-09-8, 3-Terpinolenone, Pulespenone, p-Mentha-1,4(8)-dien-3-one, 3-Methyl-6-(1-methylethylidene)cyclohex-2-en-1-one, 2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYLIDENE)-, FEMA No. 3560, 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one, 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one, IKR841W74D, CHEBI:17304, p-Menth-1,4(8)-dien-3-one, 1-Methyl-4-isopropylidene-1-cyclohexen-3-one, EINECS 207-729-5, NSC667470, NSC-667470, DTXSID10883402, 3-Methyl-6-(propan-2-ylidene)cyclohex-2-enone, P-MENTHA-1,4(8)-DIEN-3-ONE [FHFI], UNII-IKR841W74D, CHEMBL54161, SCHEMBL220677, FEMA 3560, HKZQJZIFODOLFR-UHFFFAOYSA-, DTXCID001022936, AAA49109, AKOS022504705, LMPR0102090056, NCI60_023460, 6-Isopropylidene-3-methyl-2-cyclohexenone, DB-323850, CS-0086696, NS00042900, 6-isopropylidene-3-methyl-cyclohex-2-en-1-one, C01951, EN300-126320, Q27102310, 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one #, Z1251353210, 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9CI, InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3, 207-729-5 |
|---|---|
| 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 | CC1CCCCC1C |
| Deep Smiles | CC=CC=O)C=CC)C))CC6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Piperitenone is a flavouring agent. It is found in grapefruit juice lemon juice, orange juice, spearmint oil and peppermint oil. It is also found in rosemary, mentha (mint), cornmint, and other herbs and spices. |
| Scaffold Graph Node Level | CC1CCCCC1O |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 240.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O |
| Scaffold Graph Node Bond Level | C=C1CCC=CC1=O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HKZQJZIFODOLFR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5 |
| Logs | -2.022 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.505 |
| Synonyms | 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethylidene)-, 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9CI, 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one, 3-Terpinolenone, 6-Isopropylidene-3-methyl-2-cyclohexenone, FEMA 3560, Piperitenone, Pulespenone, 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9ci, 3-Methyl-6-propan-2-ylidenecyclohex-2-en-1-one, (+)-piperitenone, piperitenone, pipéritenone |
| Substituent Name | Menthane monoterpenoid, Monocyclic monoterpenoid, Quinomethane, O-quinomethane, Cyclic ketone, Ketone, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic homomonocyclic compound |
| Esol Class | Soluble |
| Functional Groups | CC1=CC(=O)C(=C(C)C)CC1 |
| Compound Name | Piperitenone |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.1825702000000002 |
| Inchi | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3 |
| Smiles | CC1=CC(=O)C(=C(C)C)CC1 |
| 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 |
- 1. Outgoing r'ship
FOUND_INto/from Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698716 - 2. Outgoing r'ship
FOUND_INto/from Adenosma Indianum (Plant) Rel Props:Reference:https://doi.org/10.1155/2013/545760 - 3. Outgoing r'ship
FOUND_INto/from Aloysia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.981593 - 4. Outgoing r'ship
FOUND_INto/from Artemisia Judaica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1990.9697881 - 5. Outgoing r'ship
FOUND_INto/from Boswellia Sacra (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700833 - 6. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1564381 - 7. Outgoing r'ship
FOUND_INto/from Citrus Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698819 - 8. Outgoing r'ship
FOUND_INto/from Clinopodium Bolivianum (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200011/12)15:6<377::aid-ffj926>3.0.co;2-p - 9. Outgoing r'ship
FOUND_INto/from Clinopodium Brownei (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(200001/02)15:1<21::aid-ffj861>3.0.co;2-g - 10. Outgoing r'ship
FOUND_INto/from Clinopodium Gilliesii (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643605 - 11. Outgoing r'ship
FOUND_INto/from Clinopodium Nepeta (Plant) Rel Props:Reference:ISBN:9770972795006 - 12. Outgoing r'ship
FOUND_INto/from Clinopodium Serpyllifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697994 - 13. Outgoing r'ship
FOUND_INto/from Clinopodium Vimineum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699516 - 14. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 15. Outgoing r'ship
FOUND_INto/from Cryptomeria Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1045993 - 16. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Cymbopogon Citratus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2004.10643365 - 18. Outgoing r'ship
FOUND_INto/from Cymbopogon Jwarancusa (Plant) Rel Props:Reference:ISBN:9788185042114 - 19. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698394 - 21. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730050305 - 22. Outgoing r'ship
FOUND_INto/from Hyssopus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2018.1442753 - 23. Outgoing r'ship
FOUND_INto/from Juniperus Excelsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2014.947388 - 24. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1400405 - 25. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700989 - 26. Outgoing r'ship
FOUND_INto/from Lavandula Angustifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643970 - 27. Outgoing r'ship
FOUND_INto/from Lavandula Stoechas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1642800 - 28. Outgoing r'ship
FOUND_INto/from Lens Culinaris (Plant) Rel Props:Reference:ISBN:9770972795006 - 29. Outgoing r'ship
FOUND_INto/from Lippia Alba (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9701047 - 30. Outgoing r'ship
FOUND_INto/from Lippia Javanica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1195 - 31. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Mentha Aquatica (Plant) Rel Props:Source_db:fooddb_chem_all - 33. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:fooddb_chem_all - 34. Outgoing r'ship
FOUND_INto/from Mentha Diemenica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1996.9700587 - 35. Outgoing r'ship
FOUND_INto/from Mentha Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700749 - 36. Outgoing r'ship
FOUND_INto/from Mentha Longifolia (Plant) Rel Props:Source_db:fooddb_chem_all - 37. Outgoing r'ship
FOUND_INto/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1423247 - 38. Outgoing r'ship
FOUND_INto/from Mentha Pulegium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698968 - 39. Outgoing r'ship
FOUND_INto/from Mentha Rotundifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2015.1108878 - 40. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 41. Outgoing r'ship
FOUND_INto/from Micromeria Biflora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700709 - 42. Outgoing r'ship
FOUND_INto/from Minthostachys Mollis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698503 - 43. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1425640 - 44. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698713 - 45. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 46. Outgoing r'ship
FOUND_INto/from Pelargonium Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.12067128 - 47. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699907 - 48. Outgoing r'ship
FOUND_INto/from Piper Attenuatum (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199909/10)14:5<279::aid-ffj821>3.0.co;2-0 - 49. Outgoing r'ship
FOUND_INto/from Piper Cubeba (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199909/10)14:5<279::aid-ffj821>3.0.co;2-0 - 50. Outgoing r'ship
FOUND_INto/from Piper Guineense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 51. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 52. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 53. Outgoing r'ship
FOUND_INto/from Pistacia Lentiscus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698157 - 54. Outgoing r'ship
FOUND_INto/from Pistacia Terebinthus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699121 - 55. Outgoing r'ship
FOUND_INto/from Pistacia Vera (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698558 - 56. Outgoing r'ship
FOUND_INto/from Plectranthus Glandulosus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2001.9699615 - 57. Outgoing r'ship
FOUND_INto/from Plectranthus Mollis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1992.9698010 - 58. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all;npass_chem_all - 59. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700989 - 60. Outgoing r'ship
FOUND_INto/from Satureja Hortensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1119762 - 61. Outgoing r'ship
FOUND_INto/from Satureja Montana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643720 - 62. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 63. Outgoing r'ship
FOUND_INto/from Stachys Byzantina (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1594 - 64. Outgoing r'ship
FOUND_INto/from Stachys Lavandulifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1594 - 65. Outgoing r'ship
FOUND_INto/from Tagetes Erecta (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21805850 - 66. Outgoing r'ship
FOUND_INto/from Tagetes Minuta (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700200 - 67. Outgoing r'ship
FOUND_INto/from Tanacetum Parthenium (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1632228 - 68. Outgoing r'ship
FOUND_INto/from Thymbra Capitata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698524 - 69. Outgoing r'ship
FOUND_INto/from Thymus Fedtschenkoi (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1036 - 70. Outgoing r'ship
FOUND_INto/from Thymus Migricus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1036 - 71. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 72. Outgoing r'ship
FOUND_INto/from Trachyspermum Ammi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1119762 - 73. Outgoing r'ship
FOUND_INto/from Ziziphora Clinopodioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697899