5,8,2'-Trihydroxy-7-methoxyflavone
PubChem CID: 156992
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| Compound Synonyms | 5,8,2'-Trihydroxy-7-methoxyflavone, 77056-20-3, 4H-1-Benzopyran-4-one, 5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxy-, DTXSID20227853, LMPK12111302 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-2-(2-hydroxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NKSITEVSJGHWCO-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.694 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.475 |
| Compound Name | 5,8,2'-Trihydroxy-7-methoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.273331018181818 |
| Inchi | InChI=1S/C16H12O6/c1-21-13-7-11(19)14-10(18)6-12(22-16(14)15(13)20)8-4-2-3-5-9(8)17/h2-7,17,19-20H,1H3 |
| Smiles | COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients