5-Hydroxy-2',3',7,8-tetramethoxyflavone
PubChem CID: 5319878
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| Compound Synonyms | 5-Hydroxy-2',3',7,8-tetramethoxyflavone, SCHEMBL15572930, 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one, LMPK12111317, 5-hydroxy-7,8,2',3'-tetramethoxyflavone, 4767-67-3 |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,3-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BOWQAZJBVPUOQA-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -2.609 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.281 |
| Compound Name | 5-Hydroxy-2',3',7,8-tetramethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7432298153846157 |
| Inchi | InChI=1S/C19H18O7/c1-22-13-7-5-6-10(17(13)24-3)14-8-11(20)16-12(21)9-15(23-2)18(25-4)19(16)26-14/h5-9,21H,1-4H3 |
| Smiles | COC1=CC=CC(=C1OC)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amberboa Ramosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Corydalis Taliensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Plumbago Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Scutellaria Discolor (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Xylopia Columbiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all