5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone
PubChem CID: 44258731
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| Compound Synonyms | 5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone, LMPK12111646, 5,7-dihydroxy-3-methoxy-6,8-dimethyl-2-phenylchromen-4-one, 79174-96-2 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-methoxy-6,8-dimethyl-2-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXUJLKUJWRKOLJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -7.198 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.729 |
| Compound Name | 5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone |
| 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 | -4.269672808695653 |
| Inchi | InChI=1S/C18H16O5/c1-9-13(19)10(2)16-12(14(9)20)15(21)18(22-3)17(23-16)11-7-5-4-6-8-11/h4-8,19-20H,1-3H3 |
| Smiles | CC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=CC=C3)OC)C)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helleborus Purpurascens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phonus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Smilax Aspera (Plant) Rel Props:Source_db:cmaup_ingredients