Eriodictyol 7,3',4'-trimethyl ether
PubChem CID: 14078481
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| Compound Synonyms | Eriodictyol 7,3',4'-trimethyl ether, 7,3',4'-Tri-O-methyleriodictyol, 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one, VCA98796, LMPK12140590, 5-hydroxy-7,3',4'-trimethoxyflavanone |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MRFOCZPULZWYTJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -4.796 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.13 |
| Compound Name | Eriodictyol 7,3',4'-trimethyl ether |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 330.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0415832 |
| Inchi | InChI=1S/C18H18O6/c1-21-11-7-12(19)18-13(20)9-15(24-17(18)8-11)10-4-5-14(22-2)16(6-10)23-3/h4-8,15,19H,9H2,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients