Neoisopulegol, (-)-
PubChem CID: 7057942
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (-)-Neoisopulegol, (-)-Neo-isopulegol, Neoisopulegol, (-)-, neo-isopulegol, rel-, 6910XR09W9, UNII-6910XR09W9, (1R,2R,5S)-5-Methyl-2-(1-methylethenyl)cyclohexanol, 122517-60-6, CHEBI:70480, (1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R-(1alpha,2alpha,5beta))-, CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHENYL)-, (1R-(1.ALPHA.,2.ALPHA.,5.BETA.))-, SCHEMBL8814498, CHEMBL3120658, ZYTMANIQRDEHIO-IVZWLZJFSA-N, Q27138815 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | ZYTMANIQRDEHIO-IVZWLZJFSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Compound Name | Neoisopulegol, (-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.5888686000000005 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1 |
| Smiles | C[C@H]1CC[C@@H]([C@@H](C1)O)C(=C)C |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H18O |
- 1. Outgoing r'ship
FOUND_INto/from Bursera Simaruba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Callistemon Speciosus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cephalaria Leucantha (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cissus Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Coleus Wulfenioides (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Delphinium Denudatum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Diplacus Aurantiacus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Eupatorium Rebaudianum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Loranthus Longiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Mentha Incana (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Ormosia Fordiana (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Podocarpus Elatus (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Polanisia Trachysperma (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Polygala Senega (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Solanum Boerhaavii (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Vachellia Karroo (Plant) Rel Props:Source_db:cmaup_ingredients