5,6,2',3',4'-Pentamethoxyflavone
PubChem CID: 14055877
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| Compound Synonyms | 5,6,2',3',4'-Pentamethoxyflavone, 113738-80-0, 5,6-Dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-chromen-4-one, 5,6-dimethoxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one, SCHEMBL16894663, DTXSID80555144, LMPK12110115, 5,6-Dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6-dimethoxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RXRZZDZJENMNEF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.896 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.712 |
| Compound Name | 5,6,2',3',4'-Pentamethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6087311185185196 |
| Inchi | InChI=1S/C20H20O7/c1-22-14-9-8-13-17(19(14)25-4)12(21)10-16(27-13)11-6-7-15(23-2)20(26-5)18(11)24-3/h6-10H,1-5H3 |
| Smiles | COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kopsia Profunda (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tropaeolum Majus (Plant) Rel Props:Source_db:cmaup_ingredients