(3S,3aS,5aR,6R,9aS,9bS)-3,5a,9-trimethyl-2-methylidene-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-6-ol
PubChem CID: 163075279
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (3S,3aS,5aR,6R,9aS,9bS)-3,5a,9-trimethyl-2-methylidene-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-6-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.9 |
| Molecular Formula | C16H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | STIYXYABWPDGCS-PRLTYNAASA-N |
| Fcsp3 | 0.75 |
| Logs | -3.148 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.51 |
| Compound Name | (3S,3aS,5aR,6R,9aS,9bS)-3,5a,9-trimethyl-2-methylidene-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 248.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2068692 |
| Inchi | InChI=1S/C16H24O2/c1-9-5-6-13(17)16(4)8-7-12-10(2)11(3)18-15(12)14(9)16/h5,10,12-15,17H,3,6-8H2,1-2,4H3/t10-,12+,13-,14-,15+,16+/m1/s1 |
| Smiles | C[C@H]1[C@@H]2CC[C@]3([C@@H](CC=C([C@@H]3[C@H]2OC1=C)C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hopea Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients