Hypolaetin 8,3',4'-trimethyl ether
PubChem CID: 5316844
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 3',4'-Dimethoxywogonin, Hypolaetin 8,3',4'-trimethyl ether, 5,7-Dihydroxy-8,3',4'-trimethoxyflavone, LMPK12111401, 5,7-dihydroxy-3',4',8-trimethoxyflavone, 36810-81-8 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YSSFBMRXSHCURK-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.975 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.743 |
| Compound Name | Hypolaetin 8,3',4'-trimethyl ether |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5388778000000007 |
| Inchi | InChI=1S/C18H16O7/c1-22-13-5-4-9(6-15(13)23-2)14-8-11(20)16-10(19)7-12(21)17(24-3)18(16)25-14/h4-8,19,21H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygala Glomerata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rhamnus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients