5-Hydroxy-3,6,7,8-tetramethoxyflavone
PubChem CID: 44260046
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| Compound Synonyms | 5-Hydroxy-3,6,7,8-tetramethoxyflavone, 15249-62-4, 5-hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4H-chromen-4-one, SCHEMBL4129003, CHEMBL2269545, DTXSID70658072, LMPK12113296, 5-Hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 540.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3,6,7,8-tetramethoxy-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OIUOWUVXSYPYLM-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.312 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.711 |
| Compound Name | 5-Hydroxy-3,6,7,8-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 | -4.007829815384617 |
| Inchi | InChI=1S/C19H18O7/c1-22-16-12(20)11-13(21)17(23-2)19(25-4)18(24-3)15(11)26-14(16)10-8-6-5-7-9-10/h5-9,21H,1-4H3 |
| Smiles | COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=CC=C3)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Durio Carinatus (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Gnaphalium Affine (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Styrax Formosanus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Tribulus Alatus (Plant) Rel Props:Source_db:npass_chem_all