(+)-Neomenthol
PubChem CID: 439263
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (+)-Neomenthol, 2216-52-6, d-Neomenthol, dl-Neomenthol, (1S,2S,5R)-2-Isopropyl-5-methylcyclohexanol, 3623-51-6, Neomenthol, (+)-, Neomenthol, D-, Neomenthol, (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol, Neomenthol, (+/-)-, Menthol, (1R,3S,4S)-(+)-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel-, 42RE7MA7PA, (1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol, 89S3KO7RR9, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-, CHEBI:15402, (1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexanol, Neo-Menthol, MFCD00062980, ()-Neomenthol, (+-)-Neomenthol, (+/-)-Neomenthol, FEMA No. 2666, UNII-42RE7MA7PA, UNII-89S3KO7RR9, dl-neo-menthol, (1)-Neomenthol, (1S,2S,5R)-(+)-Neomenthol, 89-78-1, EINECS 207-723-2, EINECS 218-691-4, EINECS 222-824-1, 2-Isopropyl-5-methylcyclohexanol stereoisomer, bmse000498, (1S,2S,5R)-Menthol, D-NEOMENTHOL [FHFI], SCHEMBL260049, CHEMBL1907991, DTXSID9044326, FEMA 2666, NOOLISFMXDJSKH-UTLUCORTSA-, DTXSID20883998, (1S,2S,5R)-NEOMENTHOL, CAA21652, 5-Methyl-2-(1-methylethyl)cyclohexanol, (1S(1alpha,2alpha,5beta))-, AKOS015895932, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S-(1alpha,2alpha,5beta))-, HY-135286A, LMPR0102090003, BS-50681, CS-0144140, MENTHOL, trans-1,3-cis-1,4-(+-)-, N0626, NS00085305, (1S,2S,5R)-(+)-Neomenthol, >=95%, C00553, D91752, MENTHOL, TRANS-1,3,TRANS-1,4-(+/-)-, Q27089418, Cyclohexanol,5-methyl-2-(1-methylethyl)-,(1S,2S,5R)-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2alpha,5beta)-(+/-)-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1-alpha,2-alpha,5-beta)-(+-)-, CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, (1.ALPHA.,2.ALPHA.,5.BETA.)-(+/-)-, InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Constituent of Japanese peppermint oil. Flavouring ingredient. (+)-Neomenthol is found in many foods, some of which are yellow bell pepper, broccoli, spearmint, and sweet orange. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 120.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P22310, P19224, O60656 |
| Iupac Name | (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 3.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOOLISFMXDJSKH-UTLUCORTSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.494 |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Logd | 3.768 |
| Synonyms | (+)-Neomenthol, (1S,2S,5R)-(+)-Neomenthol, (1S,2S,5R)-2-Isopropyl-5-methylcyclohexanol, (1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol, (1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexanol, D-neomenthol, FEMA 2666, (1S,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexan-1-ol, (1S,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexanol, D-Neomenthol |
| Compound Name | (+)-Neomenthol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -2.8848678000000003 |
| Inchi | InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]([C@H](C1)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 Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Agrimonia Pilosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Amomum Longiligulare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Amomum Villosum (Plant) Rel Props:Source_db:npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Amomum Xanthioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Biancaea Sappan (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 15. Outgoing r'ship
FOUND_INto/from Caesalpinia Sappan (Plant) Rel Props:Source_db:npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Glechoma Longituba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Glechoma Lungituba (Plant) Rel Props:Source_db:npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Ligusticum Jeholense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Ligusticum Tenuissimum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Mentha Aquatica (Plant) Rel Props:Source_db:fooddb_chem_all - 28. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Mentha Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Menyanthes Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Schizonepeta Tenuisfolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 38. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 39. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 40. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 41. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all