15-Hydroxysolavetivone
PubChem CID: 25200393
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| Compound Synonyms | 15-hydroxysolavetivone, CHEBI:85159, oxysolavetivone, (2R,5S,10R)-6-(hydroxymethyl)-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-en-8-one, (3R,5S,6R)-10-(hydroxymethyl)-3-isopropenyl-6-methyl-spiro[4.5]dec-9-en-8-one, (2R,5S,10R)-6-(hydroxymethyl)-10-methyl-2-(prop-1-en-2-yl)spiro(4.5)dec-6-en-8-one, (3R,5S,6R)-10-(hydroxymethyl)-3-isopropenyl-6-methyl-spiro(4.5)dec-9-en-8-one, Q27158370, (3R,5S,6R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 380.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3R,5S,6R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JPVDGXUSNAEUIC-JMSVASOKSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -3.345 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.667 |
| Compound Name | 15-Hydroxysolavetivone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8745018 |
| Inchi | InChI=1S/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3H3/t11-,12-,15+/m1/s1 |
| Smiles | C[C@@H]1CC(=O)C=C([C@]12CC[C@H](C2)C(=C)C)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Centella Asiatica (Plant) Rel Props:Source_db:cmaup_ingredients