4,3',5'-tri-O-methylpiceatannol
PubChem CID: 5385086
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| Compound Synonyms | 108957-73-9, NSC-381864, (E)-3'-Hydroxy-3,5,4'-trimethoxystilbene, 4,3',5'-Tri-O-methylpiceatannol, 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-phenol, 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol, CHEMBL419378, (E)-5-(2-(3,5-Dimethoxyphenyl)ethenyl)-2-methoxyphenol, (E)-5-(3,5-Dimethoxystyryl)-2-methoxyphenol, Phenol, 5-(2-(3,5-dimethoxyphenyl)ethenyl)-2-methoxy-, (E)-, NSC381864, NSC 381864, (Z)-5-(3,5-dimethoxystyryl)-2-methoxyphenol, 5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol, KPM93CW8F2, SCHEMBL1743353, SCHEMBL1743354, WLZ3608, UQIWTPQGJCCTPA-SNAWJCMRSA-N, Phenol,5-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-, BDBM50332182, 4,3'',5''-tri-O-methylpiceatannol, AKOS015914978, AC-24233, PICEATANNOL,3',5'-TRIMETHYL,1S0, DB-349785, 3'-Hydroxy-3,5,4'-trimethoxystilbene, (E)-, (E)-5-(3,5 -dimethoxystyryl) -2-methoxy phenol, 5-(2-(3,5-Dimethoxyphenyl)vinyl)-2-methoxyphenol, 5-[2-(3,5-Dimethoxy-phenyl)-vinyl]-2-methoxy-phenol, Phenol, 5-[2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-, 1,3-dimethoxy-5-[(E)-3-hydroxy-4-methoxy-styryl]benzene, 5-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]-2-methoxyphenol, 5-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-2-methoxy-phenol, Phenol, 5-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy- |
|---|---|
| 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., P15559, P16083, P09917 |
| Iupac Name | 5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol |
| Prediction Hob | 1.0 |
| Target Id | NPT935, NPT366, NPT570 |
| Xlogp | 3.8 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UQIWTPQGJCCTPA-SNAWJCMRSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.459 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.58 |
| Compound Name | 4,3',5'-tri-O-methylpiceatannol |
| 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)5-4-12-6-7-17(21-3)16(18)10-12/h4-11,18H,1-3H3/b5-4+ |
| Smiles | COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rheum Undulatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all