5,7,2'-Trihydroxy-8,6'-dimethoxyflavone
PubChem CID: 5322060
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| Compound Synonyms | 5,7,2'-Trihydroxy-8,6'-dimethoxyflavone, 5,7-dihydroxy-2-(2-hydroxy-6-methoxyphenyl)-8-methoxychromen-4-one, SCHEMBL8814605, CHEBI:197056, LMPK12111310, 92519-90-9 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(2-hydroxy-6-methoxyphenyl)-8-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OBPTWCJIAIXDRP-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.859 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.574 |
| Compound Name | 5,7,2'-Trihydroxy-8,6'-dimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3297437333333333 |
| Inchi | InChI=1S/C17H14O7/c1-22-12-5-3-4-8(18)15(12)13-7-10(20)14-9(19)6-11(21)16(23-2)17(14)24-13/h3-7,18-19,21H,1-2H3 |
| Smiles | COC1=CC=CC(=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)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