2',3',4',5,7-Pentamethoxyflavone
PubChem CID: 373146
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2',3',4',5,7-Pentamethoxyflavone, 89121-55-1, 5,7,2',3',4'-Pentamethoxyflavone, 5,7-Dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-chromen-4-one, NSC649089, Flavonid, 6[2,3], CHEMBL77865, BDBM93442, DTXSID20327362, XCRISFHOPWXTMT-UHFFFAOYSA-N, LMPK12110950, NSC-649089, NCI60_017106, 5,7-Dimethoxy-2-(2,3,4-trimethoxyphenyl)-4H-chromen-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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-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 | XCRISFHOPWXTMT-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.49 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.897 |
| Compound Name | 2',3',4',5,7-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/c1-22-11-8-16(24-3)18-13(21)10-15(27-17(18)9-11)12-6-7-14(23-2)20(26-5)19(12)25-4/h6-10H,1-5H3 |
| Smiles | COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Lineata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all