5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone
PubChem CID: 21721900
Connections displayed (default: 10).
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| Compound Synonyms | 5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone, LMPK12111426, 92519-92-1 |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 549.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,5-dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PVSHCMCDBFRZFY-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.605 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.356 |
| Compound Name | 5,2',5'-Trihydroxy-6,7,8-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 | -3.393056215384616 |
| Inchi | InChI=1S/C18H16O8/c1-23-16-14(22)13-11(21)7-12(9-6-8(19)4-5-10(9)20)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3 |
| Smiles | COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=C(C=CC(=C3)O)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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