(3aR,5R,11aR)-5-hydroxy-3,6,10-trimethylidene-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-2,9-dione
PubChem CID: 162653151
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4752298 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3aR,5R,11aR)-5-hydroxy-3,6,10-trimethylidene-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-2,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C15H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICDFWDASJLISEX-MRVWCRGKSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -2.727 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.506 |
| Compound Name | (3aR,5R,11aR)-5-hydroxy-3,6,10-trimethylidene-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-2,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2348909999999997 |
| Inchi | InChI=1S/C15H18O4/c1-8-4-5-12(16)9(2)6-14-11(7-13(8)17)10(3)15(18)19-14/h11,13-14,17H,1-7H2/t11-,13-,14-/m1/s1 |
| Smiles | C=C1CCC(=O)C(=C)C[C@@H]2[C@H](C[C@H]1O)C(=C)C(=O)O2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Myriantha (Plant) Rel Props:Source_db:cmaup_ingredients