2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-
PubChem CID: 111274
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| Compound Synonyms | 52154-82-2, (1r,4r)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol, (1R,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol, 7212-40-0, (+)-trans-p-Mentha-2,8-dien-1-ol, (1R,4R)-p-Mentha-2,8-dien-1-ol, (1R-TRANS) 1-METHYL-4-(1-METHYLETHENYL)-2-CYCLOHEXENE-1-OL, R1AUQ945JN, 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel-, 7K859030EU, trans-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol, (1R,4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-enol, 4-Isopropenyl-1-methyl-cyclohex-2-en-1-ol, (1R*,4R*), rel-, 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-, 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R-trans)-, rel-(1R,4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-en-1-ol, cis-p-Mentha-2,8-dien-1-ol, UNII-R1AUQ945JN, (Z)-p-Mentha-2,8-dien-1-ol, UNII-7K859030EU, p-Mentha-2,8-dien-1-alpha-ol, EINECS 230-595-4, FEMA No. 4411, trans-(+-)-, (+-)-trans-p-Mentha-2,8-dien-1-ol, 2,8-P-Menthadien-1-ol, trans-(+-)-, cis-2,8-Menthadien-1-ol, SCHEMBL1114908, cis-p-Mentha-2,8-diene-1-ol, CHEBI:171978, DTXSID401301235, p-Menth-2,8-dien-1-ol, cis-, p-Mentha-2,8-dien-1-ol, cis-, AKOS006288261, Mentha-2,8-dien-1-ol, para, cis-, FEMA NO. 4411, TRANS-(+)-, P-MENTHA-2,8-DIEN-1-.ALPHA.-OL, P-MENTHA-2,8-DIEN-1-OL, TRANS-, 2,8-P-MENTHADIEN-1-OL, TRANS-(+)-, P-MENTHA-2,8-DIEN-1-OL, (1R,4R)-, 2,8-P-MENTHADIEN-1-OL, TRANS-(+/-)-, 4-Isopropenyl-1-methyl-2-cyclohexen-1-ol-, cis, P-MENTHA-2,8-DIEN-1-OL, TRANS-(+/-)-, 1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol, cis-, 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl), cis, (1R,4R)-1-methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol, (1R,4R)-4-ISOPROPENYL-1-METHYL-CYCLOHEX-2-EN-1-OL, (E)-, (+/-)-(1R,4R)-4-ISOPROPENYL-1-METHYL-CYCLOHEX-2-EN-1-OL, (E)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | Isolated from gingergrass oil (Cymbopogon martini) and various Citrus oils. Metabolic and oxidn. production of Limonene <ht>JFH51-A</ht>. (1R,4R)-p-Mentha-2,8-dien-1-ol is found in caraway and citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 2.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 1.0 |
| Inchi Key | MKPMHJQMNACGDI-UWVGGRQHSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.196 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.579 |
| Synonyms | (+)-trans-p-Mentha-2,8-dien-1-ol, (+)-trans-P-Mentha-2,8-dien-1-ol |
| Compound Name | 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethenyl)-, (1R,4R)-rel- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| 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 | -2.2298694 |
| Inchi | InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m0/s1 |
| Smiles | CC(=C)[C@@H]1CC[C@@](C=C1)(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Menthane monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Source_db:fooddb_chem_all - 5. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all