5,3',4'-Trihydroxy-7-methoxy-6-methylflavone
PubChem CID: 10358252
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| Compound Synonyms | 5,3',4'-Trihydroxy-7-methoxy-6-methylflavone, LMPK12111041, 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-methylchromen-4-one, 630426-79-8 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 489.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IEWYZZQKRHHVND-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.665 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.568 |
| Compound Name | 5,3',4'-Trihydroxy-7-methoxy-6-methylflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5636992086956525 |
| Inchi | InChI=1S/C17H14O6/c1-8-13(22-2)7-15-16(17(8)21)12(20)6-14(23-15)9-3-4-10(18)11(19)5-9/h3-7,18-19,21H,1-2H3 |
| Smiles | CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients