5-Hydroxy-3',4',7,8-tetramethoxyflavone
PubChem CID: 9950661
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| Compound Synonyms | 5-Hydroxy-3',4',7,8-tetramethoxyflavone, Hypolaetin 7,8,3',4'-tetramethyl ether, 5-Hydroxy-7,8,3',4'-tetramethoxyflavone, 2-(3,4-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one, SCHEMBL4057928, CHEBI:175598, DTXSID401157997, LMPK12111402, 13003-74-2, 7,8,3',4'-Tetramethoxy-5-hydroxyflavon, 2-(3,4-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Description | Constituent of bergamot oil. 5-Hydroxy-3',4',7,8-tetramethoxyflavone is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-5-hydroxy-7,8-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HIUKQMVQSJHRNC-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.385 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.854 |
| Synonyms | 2-(3,4-Dimethoxyphenyl)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one, 5-Hydroxy-3',4',7,8-tetramethoxyflavone, 5-Hydroxy-7,8,3',4'-tetramethoxyflavone, Hypolaetin 7,8,3',4'-tetramethyl ether |
| Compound Name | 5-Hydroxy-3',4',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 | -3.743229815384616 |
| Inchi | InChI=1S/C19H18O7/c1-22-13-6-5-10(7-15(13)23-2)14-8-11(20)17-12(21)9-16(24-3)18(25-4)19(17)26-14/h5-9,21H,1-4H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Gaudichaudii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Gentiana Makinoi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Kigelia Africana (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Litsea Monopetala (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Metanarthecium Luteoviride (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pandanus Tectorius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Sarcococca Saligna (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Silybum Marianum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all