cis-3,5,3',4'-Tetrahydroxystilbene
PubChem CID: 6603962
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| Compound Synonyms | cis-Piceatannol, 106325-86-4, cis-3,5,3',4'-tetrahydroxystilbene, 4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol, CHEBI:76156, 4-[(1Z)-2-(3,5-Dihydroxyphenyl)ethenyl]-1,2-benzenediol, , Lopac-P-0453, CHEMBL1603409, SCHEMBL19953785, DTXSID40424968, CDRPUGZCRXZLFL-UPHRSURJSA-N, (Z)-3,5,3',4'-tetrahydroxystilbene, NCGC00015794-01, (Z)-4-(3,5-Dihydroxystyryl)benzene-1,2-diol, Q27145793, 5-[(1Z)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Description | Piceatannol, also known as (Z)-3,5,3',4'-tetrahydroxystilbene, is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Piceatannol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Piceatannol can be synthesized from cis-stilbene. Piceatannol can also be synthesized into cis-astringin. Piceatannol can be found in common grape and grape wine, which makes piceatannol a potential biomarker for the consumption of these food products. Piceatannol is a stilbenoid, a type of phenolic compound . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 282.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q27686, Q99714, P08659, Q16665, P14618, P16050, P18054, O14924, P08482, P40225, P04637, P29466, P08684, P11712, O15296, P05177 |
| Iupac Name | 4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT149, NPT211, NPT52, NPT792, NPT1119, NPT96, NPT539, NPT277, NPT109, NPT212, NPT208 |
| Xlogp | 2.9 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CDRPUGZCRXZLFL-UPHRSURJSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.099 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.103 |
| Synonyms | 3,3',4,5'-Stilbenetetrol, 8CI, 3,3',4,5'-Tetrahydroxystilbene, 4-[2-(3,5-Dihydroxyphenyl)ethenyl]-1,2-benzenediol, 9CI, Astringenin, NSC 365798, Piceatannol |
| Compound Name | cis-3,5,3',4'-Tetrahydroxystilbene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.517458533333333 |
| Inchi | InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1- |
| Smiles | C1=CC(=C(C=C1/C=C\C2=CC(=CC(=C2)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rheum Australe (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rhodomyrtus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all