5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone
PubChem CID: 10065066
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| Compound Synonyms | 6,8-Di-C-methylluteolin 7-methyl ether, 5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone, LMPK12111042 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6,8-dimethylchromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Is Pains | True |
| Molecular Formula | C18H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QDEUSJBJDJYZOM-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 328.095 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 328.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 328.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.862317333333333 |
| Inchi | InChI=1S/C18H16O6/c1-8-16(22)15-13(21)7-14(10-4-5-11(19)12(20)6-10)24-18(15)9(2)17(8)23-3/h4-7,19-20,22H,1-3H3 |
| Smiles | CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hydrastis Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients