5,7-Dihydroxy-2,6,8-trimethylchromone
PubChem CID: 179520
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| Compound Synonyms | 8-Methyleugenitol, 41682-21-7, 5,7-Dihydroxy-2,6,8-trimethylchromone, 5,7-dihydroxy-2,6,8-trimethylchromen-4-one, 5,7-Dihydroxy-2,6,8-trimethyl-4H-1-benzopyran-4-one, CHEMBL2164951, DTXSID00961900, CHEBI:144103, AKOS032948439, '5,7-Dihydroxy-2,6,8-trimethylchromone' |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2,6,8-trimethylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C12H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ODNMTIVRLHXQTE-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.264 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.278 |
| Compound Name | 5,7-Dihydroxy-2,6,8-trimethylchromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 220.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7388888 |
| Inchi | InChI=1S/C12H12O4/c1-5-4-8(13)9-11(15)6(2)10(14)7(3)12(9)16-5/h4,14-15H,1-3H3 |
| Smiles | CC1=CC(=O)C2=C(C(=C(C(=C2O1)C)O)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senna Siamea (Plant) Rel Props:Source_db:cmaup_ingredients