5,2'-Dihydroxy-7-methoxy-6,8-dimethylflavone
PubChem CID: 44257614
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| Compound Synonyms | 5,2'-Dihydroxy-7-methoxy- 6,8-dimethylflavone, 5,2'-dihydroxy-7-methoxy-6,8-dimethylflavone, 5-hydroxy-2-(2-hydroxyphenyl)-7-methoxy-6,8-dimethylchromen-4-one, CHEBI:187587, LMPK12110124, 188444-28-2 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 488.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(2-hydroxyphenyl)-7-methoxy-6,8-dimethylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FXMUJVDVKKTZCR-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.655 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.978 |
| Compound Name | 5,2'-Dihydroxy-7-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 | -4.005072808695652 |
| Inchi | InChI=1S/C18H16O5/c1-9-16(21)15-13(20)8-14(11-6-4-5-7-12(11)19)23-18(15)10(2)17(9)22-3/h4-8,19,21H,1-3H3 |
| Smiles | CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Dunniana (Plant) Rel Props:Source_db:cmaup_ingredients