5-Hydroxy-7,2',6'-trimethoxyflavone
PubChem CID: 5318369
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| Compound Synonyms | 5-Hydroxy-7,2',6'-trimethoxyflavone, 2-(2,6-Dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one, 2-(2,6-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one, LMPK12110136, 566918-50-1 |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,6-dimethoxyphenyl)-5-hydroxy-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SYNMHBLAWSMSHJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.001 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.798 |
| Compound Name | 5-Hydroxy-7,2',6'-trimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.679917333333333 |
| Inchi | InChI=1S/C18H16O6/c1-21-10-7-11(19)17-12(20)9-16(24-15(17)8-10)18-13(22-2)5-4-6-14(18)23-3/h4-9,19H,1-3H3 |
| Smiles | COC1=C(C(=CC=C1)OC)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients