5,7,2'-Trimethoxyflavone
PubChem CID: 5322103
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| Compound Synonyms | 5,7,2'-Trimethoxyflavone, 4308-57-0, 5,7-dimethoxy-2-(2-methoxyphenyl)chromen-4-one, 5,7-dimethoxy-2-(2-methoxyphenyl)-4H-chromen-4-one, DTXSID20415793, 4H-1-Benzopyran-4-one, 5,7-dimethoxy-2-(2-methoxyphenyl)-, DTXCID90366642, LMPK12110130, DA-05896, XT183033 |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethoxy-2-(2-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IAVDTHSFRQVKKU-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.068 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.102 |
| Compound Name | 5,7,2'-Trimethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4761728086956527 |
| Inchi | InChI=1S/C18H16O5/c1-20-11-8-16(22-3)18-13(19)10-15(23-17(18)9-11)12-6-4-5-7-14(12)21-2/h4-10H,1-3H3 |
| Smiles | COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3OC)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