Salvinone
PubChem CID: 130233
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| Compound Synonyms | Salvinone, 124681-15-8, 1-(3-hydroxy-8,8-dimethyl-6,7-dihydro-5H-phenanthren-2-yl)ethanone, 12-Hydroxy-16-oxo-20-nor-5(10),6,8,11,13-abietapentaene, 1-(3-HYDROXY-8,8-DIMETHYL-5,6,7,8-TETRAHYDROPHENANTHREN-2-YL)ETHAN-1-ONE, DTXSID20154458, HY-120451, CS-0078039, Ethanone, 1-(5,6,7,8-tetrahydro-3-hydroxy-8,8-dimethyl-2-phenanthrenyl)-, InChI=1/C18H20O2/c1-11(19)14-9-12-6-7-16-13(15(12)10-17(14)20)5-4-8-18(16,2)3/h6-7,9-10,20H,4-5,8H2,1-3H |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 387.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3-hydroxy-8,8-dimethyl-6,7-dihydro-5H-phenanthren-2-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C18H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ABHIZICAJIIGDO-UHFFFAOYSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -4.272 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.053 |
| Compound Name | Salvinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1468072 |
| Inchi | InChI=1S/C18H20O2/c1-11(19)14-9-12-6-7-16-13(15(12)10-17(14)20)5-4-8-18(16,2)3/h6-7,9-10,20H,4-5,8H2,1-3H3 |
| Smiles | CC(=O)C1=C(C=C2C3=C(C=CC2=C1)C(CCC3)(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients