(1S,3R,7R,9R,10R,12R,14S)-9,14-dimethyl-4-methylidene-6,11-dioxatetracyclo[7.5.0.03,7.010,12]tetradecane-5,13-dione
PubChem CID: 14021292
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| Compound Synonyms | CHEMBL4759479 |
|---|---|
| Topological Polar Surface Area | 55.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 510.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,3R,7R,9R,10R,12R,14S)-9,14-dimethyl-4-methylidene-6,11-dioxatetracyclo[7.5.0.03,7.010,12]tetradecane-5,13-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C15H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ILXNJGJFJRUHHW-IGRWEYARSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -2.331 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.886 |
| Compound Name | (1S,3R,7R,9R,10R,12R,14S)-9,14-dimethyl-4-methylidene-6,11-dioxatetracyclo[7.5.0.03,7.010,12]tetradecane-5,13-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 | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.638091 |
| Inchi | InChI=1S/C15H18O4/c1-6-8-4-9-7(2)11(16)12-13(19-12)15(9,3)5-10(8)18-14(6)17/h7-10,12-13H,1,4-5H2,2-3H3/t7-,8+,9-,10+,12-,13-,15+/m0/s1 |
| Smiles | C[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]2([C@@H]4[C@H](C1=O)O4)C)OC(=O)C3=C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Myriantha (Plant) Rel Props:Source_db:cmaup_ingredients