Pinocarvone, trans-(-)-
PubChem CID: 12314319
Connections displayed (default: 10).
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| Compound Synonyms | L-Pinocarvone, (-)-Pinocarvone, 19890-00-7, (1S)-(-)-Pinocarvone, Pinocarvone, trans-(-)-, WFD943577N, 2(10)-Pinen-3-one, (1S,5S)-(-)-, Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-, (1S,5S)-, (1S,5S)-6,6-Dimethyl-2-methylidenebicyclo(3.1.1)heptan-3-one, (1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one, Bicyclo(3.1.1)heptan-3-one, 6,6-dimethyl-2-methylene-, (1S,5S)-, UNII-WFD943577N, DTXSID00487438, (1S*,5S*)-6,6-Dimethyl-2-methylene-bicyclo[3.1.1]heptan-3-one |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C10H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | TZDMGBLPGZXHJI-JGVFFNPUSA-N |
| Fcsp3 | 0.7 |
| Logs | -2.494 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.541 |
| Compound Name | Pinocarvone, trans-(-)- |
| 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 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1321702 |
| Inchi | InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3/t7-,8+/m0/s1 |
| Smiles | CC1([C@H]2C[C@@H]1C(=C)C(=O)C2)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Adonis Mongolica (Plant) Rel Props:Reference: - 2. Outgoing r'ship
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FOUND_INto/from Phlomis Crinita (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Phlomis Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
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