Chrysoeriol 5-methyl ether
PubChem CID: 13964549
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| Compound Synonyms | Chrysoeriol 5-methyl ether, 62346-14-9, Luteolin 5,3'-dimethyl ether, 5,3'-di-O-methylluteolin, 4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-, 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-4H-chromen-4-one, 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxychromen-4-one, starbld0025807, SCHEMBL4321016, CHEMBL4213477, CHEBI:69455, DTXSID801308421, Luteolin 5,3a(2)-dimethyl ether, MCA34614, LMPK12110967, AKOS040762709, 7,4'-dihydroxy-5,3'-dimethoxyflavone, Q27137792 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 476.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JDMXMMBASFOTIF-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.244 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.397 |
| Compound Name | Chrysoeriol 5-methyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.125999208695652 |
| Inchi | InChI=1S/C17H14O6/c1-21-14-5-9(3-4-11(14)19)13-8-12(20)17-15(22-2)6-10(18)7-16(17)23-13/h3-8,18-19H,1-2H3 |
| Smiles | COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC(=C(C=C3)O)OC)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juncus Effusus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mimosa Diplotricha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all