4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone
PubChem CID: 44258049
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| Compound Synonyms | 4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone, SCHEMBL16894630, LMPK12110623, 2-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,7-tetramethoxychromen-4-one, 77390-47-7 |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 622.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-3,5-dimethoxyphenyl)-3,5,6,7-tetramethoxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.9 |
| Molecular Formula | C21H22O9 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AODUPPDRCWXZLS-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.465 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.501 |
| Compound Name | 4'-Hydroxy-3,5,6,7,3',5'-hexamethoxyflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 418.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 418.126 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 418.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.803134266666668 |
| Inchi | InChI=1S/C21H22O9/c1-24-12-7-10(8-13(25-2)16(12)22)18-21(29-6)17(23)15-11(30-18)9-14(26-3)19(27-4)20(15)28-5/h7-9,22H,1-6H3 |
| Smiles | COC1=CC(=CC(=C1O)OC)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients