5,2',6'-Trihydroxy-7-methoxyflavone
PubChem CID: 10946502
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5,2',6'-Trihydroxy-7-methoxyflavone, 2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one, LMPK12110135, 393825-50-8 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 452.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,6-dihydroxyphenyl)-5-hydroxy-7-methoxychromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Is Pains | False |
| Molecular Formula | C16H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UAAZSBRHWYSPEI-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 5,2',6'-Trihydroxy-7-methoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.273331018181818 |
| Inchi | InChI=1S/C16H12O6/c1-21-8-5-11(19)16-12(20)7-14(22-13(16)6-8)15-9(17)3-2-4-10(15)18/h2-7,17-19H,1H3 |
| Smiles | COC1=CC(=C2C(=C1)OC(=CC2=O)C3=C(C=CC=C3O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hevea Brasiliensis (Plant) Rel Props:Source_db:cmaup_ingredients