(4E,6E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)hepta-4,6-dien-3-one
PubChem CID: 162652443
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4752338 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 465.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E,6E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)hepta-4,6-dien-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C21H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GKCMXLITGMPXIH-GGWOSOGESA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -4.442 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.327 |
| Compound Name | (4E,6E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)hepta-4,6-dien-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.244830861538462 |
| Inchi | InChI=1S/C21H22O5/c1-25-19-13-16(14-20(26-2)21(19)24)5-3-4-6-17(22)10-7-15-8-11-18(23)12-9-15/h3-6,8-9,11-14,23-24H,7,10H2,1-2H3/b5-3+,6-4+ |
| Smiles | COC1=CC(=CC(=C1O)OC)/C=C/C=C/C(=O)CCC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tacca Chantrieri (Plant) Rel Props:Source_db:cmaup_ingredients