5,7,2',4',6'-Pentamethoxyflavone
PubChem CID: 5320479
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| Compound Synonyms | 5,7,2',4',6'-Pentamethoxyflavone, 502633-20-7, DTXSID90415780, 5,7-Dimethoxy-2-(2,4,6-trimethoxyphenyl)-4H-chromen-4-one, 5,7-dimethoxy-2-(2,4,6-trimethoxyphenyl)chromen-4-one, DTXCID10366629, LMPK12110951 |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethoxy-2-(2,4,6-trimethoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BZDNMWJCXMJWNR-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.985 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.923 |
| Compound Name | 5,7,2',4',6'-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/c1-22-11-7-15(25-4)20(16(8-11)26-5)18-10-13(21)19-14(24-3)6-12(23-2)9-17(19)27-18/h6-10H,1-5H3 |
| Smiles | COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=C(C=C(C=C3OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Viscosula (Plant) Rel Props:Source_db:cmaup_ingredients