(3R,5R,6R,8S,10R)-10-(hydroxymethyl)-3-(3-hydroxyprop-1-en-2-yl)-6-methylspiro[4.5]decan-8-ol
PubChem CID: 155521455
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| Compound Synonyms | CHEMBL4450097 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 315.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (3R,5R,6R,8S,10R)-10-(hydroxymethyl)-3-(3-hydroxyprop-1-en-2-yl)-6-methylspiro[4.5]decan-8-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.2 |
| Molecular Formula | C15H26O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VXIFBNCRGNJZJE-NIFZNCRKSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -1.542 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.195 |
| Compound Name | (3R,5R,6R,8S,10R)-10-(hydroxymethyl)-3-(3-hydroxyprop-1-en-2-yl)-6-methylspiro[4.5]decan-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.636594 |
| Inchi | InChI=1S/C15H26O3/c1-10(8-16)12-3-4-15(7-12)11(2)5-14(18)6-13(15)9-17/h11-14,16-18H,1,3-9H2,2H3/t11-,12-,13+,14+,15-/m1/s1 |
| Smiles | C[C@@H]1C[C@@H](C[C@H]([C@@]12CC[C@H](C2)C(=C)CO)CO)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