3,5,7,3'-Tetramethoxy-4'-hydroxyflavone
PubChem CID: 13942543
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| Compound Synonyms | Quercetin 3,5,7,3'-tetramethyl ether, 3,5,7,3'-Tetramethoxy-4'-hydroxyflavone, CHEMBL361803, SCHEMBL4286969, LMPK12112755, 4'-hydroxy-3,5,7,3'-tetramethoxyflavone |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-3-methoxyphenyl)-3,5,7-trimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KOCIOXYNAFGQMZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.461 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.881 |
| Compound Name | 3,5,7,3'-Tetramethoxy-4'-hydroxyflavone |
| 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 | -3.661329815384616 |
| Inchi | InChI=1S/C19H18O7/c1-22-11-8-14(24-3)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-12(20)13(7-10)23-2/h5-9,20H,1-4H3 |
| Smiles | COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Croton Macrostachys (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rheum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Uvaria Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all