4,6-Eudesmadiene-3,8-dione
PubChem CID: 10922401
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| Compound Synonyms | 4,6-Eudesmadiene-3,8-dione, LLOYUVLMNHQEFN-OAHLLOKOSA-N |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8aR)-5,8a-dimethyl-3-propan-2-yl-7,8-dihydro-1H-naphthalene-2,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LLOYUVLMNHQEFN-OAHLLOKOSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.832 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.778 |
| Compound Name | 4,6-Eudesmadiene-3,8-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6445025999999996 |
| Inchi | InChI=1S/C15H20O2/c1-9(2)11-7-12-10(3)13(16)5-6-15(12,4)8-14(11)17/h7,9H,5-6,8H2,1-4H3/t15-/m1/s1 |
| Smiles | CC1=C2C=C(C(=O)C[C@]2(CCC1=O)C)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iris Potaninii (Plant) Rel Props:Source_db:cmaup_ingredients