4',5-Dihydroxy-3',5',6,7-tetramethoxyflavone
PubChem CID: 16681753
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4',5-Dihydroxy-3',5',6,7-tetramethoxyflavone, 83133-17-9, 5-Hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4H-chromen-4-one, 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-4-one, 5,4'-Dihidroxy-6,7,3',5'-tetramethoxyflavone, MLS000863593, MEGxp0_001427, CHEMBL1524286, ACon1_000425, HMS2271N03, IDA13317, LMPK12111272, AKOS022184619, FS-9079, NCGC00169092-01, SMR000440715, 5,4'-di-hydroxy 6,7,3',5'-tetramethoxy flavone, BRD-K82024797-001-01-1, 5-hydroxy-2-(4-hydroxy-3,5-dimethoxy-phenyl)-6,7-dimethoxy-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 550.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P46063, B2RXH2, P10636, P06746, Q96QE3, Q9UNA4, Q9Y253, Q9UBT6, O94925, Q99700, Q14191, Q13526, Q9NUW8, P50281, O75874, Q03431, Q9NR56, P27695 |
| Iupac Name | 5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT47, NPT48, NPT51, NPT59 |
| Xlogp | 2.9 |
| Molecular Formula | C19H18O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XEHLDSAKZSXOFK-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.412 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.4 |
| Compound Name | 4',5-Dihydroxy-3',5',6,7-tetramethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.1 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 374.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6050575185185196 |
| Inchi | InChI=1S/C19H18O8/c1-23-13-5-9(6-14(24-2)17(13)21)11-7-10(20)16-12(27-11)8-15(25-3)19(26-4)18(16)22/h5-8,21-22H,1-4H3 |
| Smiles | COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corchorus Tridens (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Dacryodes Normandii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Mulguraea Tridens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Riccia Fluitans (Plant) Rel Props:Source_db:npass_chem_all