5,4'-Dihydroxy-7,3',5'-trimethoxyflavone
PubChem CID: 15222911
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| Compound Synonyms | 107316-94-9, 5,4'-dihydroxy-7,3',5'-trimethoxyflavone, 5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-4H-chromen-4-one, UNII-A27NFM7JDA, A27NFM7JDA, CHEBI:67647, 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one, 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-, 7-methoxytricin, CHEMBL470242, SCHEMBL16150088, 7,3',5'-tri-O-methyltricetin, LMPK12111064, Q27136118 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 506.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VIKKUMIXGIDYKY-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.286 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.678 |
| Compound Name | 5,4'-Dihydroxy-7,3',5'-trimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5388778000000007 |
| Inchi | InChI=1S/C18H16O7/c1-22-10-6-11(19)17-12(20)8-13(25-14(17)7-10)9-4-15(23-2)18(21)16(5-9)24-3/h4-8,19,21H,1-3H3 |
| Smiles | COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Betonica Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all