3',5,7-Trihydroxy-3,4',5'-trimethoxyflavone
PubChem CID: 44259719
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| Compound Synonyms | CHEBI:70009, CHEMBL1689269, Myricetin 3,3',4'-Trimethylether, Myricetin 3,3',4'-trimethyl ether, 3',5,7-trihydroxy-3,4',5'-trimethoxyflavone, BDBM50464571, LMPK12112791, Myricetin 3,3'''',4''''-Trimethylether, Q27138350, 5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3-methoxy-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 561.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O14763, P80457 |
| Iupac Name | 5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-3-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YTYFGDJADQYGLC-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.693 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.645 |
| Compound Name | 3',5,7-Trihydroxy-3,4',5'-trimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 360.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6576562153846157 |
| Inchi | InChI=1S/C18H16O8/c1-23-13-5-8(4-11(21)17(13)24-2)16-18(25-3)15(22)14-10(20)6-9(19)7-12(14)26-16/h4-7,19-21H,1-3H3 |
| Smiles | COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Quadrangulare (Plant) Rel Props:Source_db:npass_chem_all