5,6,4'-Trihydroxy-8,3'-dimethoxyflavone
PubChem CID: 15429100
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| Compound Synonyms | 5,6,4'-trihydroxy-8,3'-dimethoxyflavone |
|---|---|
| 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 | 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHIWPTGNBDHONL-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.904 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.46 |
| Compound Name | 5,6,4'-Trihydroxy-8,3'-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/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-16(21)11(20)7-14(23-2)17(15)24-12/h3-7,18,20-21H,1-2H3 |
| Smiles | COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=CC(=C3O2)OC)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citropsis Articulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crotalaria Spectabilis (Plant) Rel Props:Source_db:cmaup_ingredients