4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol
PubChem CID: 5809575
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| Compound Synonyms | 108957-72-8, 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol, NSC-381281, NSC381281, CHEMBL119576, 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-phenol, 3,3',5'-Tri-O-methylpiceatannol, (E)-4'-hydroxy-3,5,3'-Trimethoxystilbene, SCHEMBL25328697, (E)-4-(2-(3,5-Dimethoxyphenyl)ethenyl)-2-methoxyphenol, 4-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2-methoxy-phenol, BDBM50516942, PICEATANNOL,3',5'-TRIMETHYL, AKOS015914953, PICEATANNOL,3,3',5'-TRIMETHYL, AC-24232, (E)-4-(3,5-Dimethoxystyryl)-2-methoxyphenol, 4-(2-(3,5-Dimethoxyphenyl)vinyl)-2-methoxyphenol, Phenol, 4-(2-(3,5-dimethoxyphenyl)ethenyl)-2-methoxy-, (E)- |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P09917 |
| Iupac Name | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Target Id | NPT570 |
| Xlogp | 3.8 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QEHTYBCDRGQJGN-SNAWJCMRSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.473 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.803 |
| Compound Name | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.3792845428571425 |
| Inchi | InChI=1S/C17H18O4/c1-19-14-8-13(9-15(11-14)20-2)5-4-12-6-7-16(18)17(10-12)21-3/h4-11,18H,1-3H3/b5-4+ |
| Smiles | COC1=CC(=CC(=C1)/C=C/C2=CC(=C(C=C2)O)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rheum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all