5,7,3',4'-Tetrahydroxy-8-methoxyflavone
PubChem CID: 5316843
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| Compound Synonyms | 8-Methoxyluteolin, Onopordin, CHEMBL476730, 5,7,3',4'-Tetrahydroxy-8-methoxyflavone, SCHEMBL26114003, BDBM50412286, LMPK12111398, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-4H-chromen-4-one, 5916-04-1 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 491.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P07943 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.3 |
| Molecular Formula | C16H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FPSMUVCMXQTXND-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.836 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.311 |
| Compound Name | 5,7,3',4'-Tetrahydroxy-8-methoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 316.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.122325608695652 |
| Inchi | InChI=1S/C16H12O7/c1-22-15-12(21)5-10(19)14-11(20)6-13(23-16(14)15)7-2-3-8(17)9(18)4-7/h2-6,17-19,21H,1H3 |
| Smiles | COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Gardenia Florida (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Isodon Oresbia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Peucedanum Ostruthium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pygeum Topengii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Rosa Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Rubus Alceifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all