(E)-3-(2,4-dihydroxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
PubChem CID: 118725712
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| Compound Synonyms | CHEMBL3393846 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(2,4-dihydroxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MGAMNVYDDRRLAR-GQCTYLIASA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.29 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.953 |
| Compound Name | (E)-3-(2,4-dihydroxyphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8228027565217393 |
| Inchi | InChI=1S/C17H16O6/c1-22-12-8-15(21)17(16(9-12)23-2)13(19)6-4-10-3-5-11(18)7-14(10)20/h3-9,18,20-21H,1-2H3/b6-4+ |
| Smiles | COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients