(3R,5S,6S,7R,8R,10R)-10-(hydroxymethyl)-3-(3-hydroxyprop-1-en-2-yl)-6-methylspiro[4.5]decane-7,8-diol
PubChem CID: 155533344
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| Compound Synonyms | CHEMBL4468800 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (3R,5S,6S,7R,8R,10R)-10-(hydroxymethyl)-3-(3-hydroxyprop-1-en-2-yl)-6-methylspiro[4.5]decane-7,8-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C15H26O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BRPMNXGYGOLWCC-QAUDVVSPSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -0.949 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.655 |
| Compound Name | (3R,5S,6S,7R,8R,10R)-10-(hydroxymethyl)-3-(3-hydroxyprop-1-en-2-yl)-6-methylspiro[4.5]decane-7,8-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 270.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1183878 |
| Inchi | InChI=1S/C15H26O4/c1-9(7-16)11-3-4-15(6-11)10(2)14(19)13(18)5-12(15)8-17/h10-14,16-19H,1,3-8H2,2H3/t10-,11-,12+,13-,14-,15-/m1/s1 |
| Smiles | C[C@@H]1[C@H]([C@@H](C[C@H]([C@@]12CC[C@H](C2)C(=C)CO)CO)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Source_db:cmaup_ingredients