| Phytochemical Name : (+)-Catechin Hydrate |
| PCNDIDOT0042 |
| Pubchem CID : 107957 |
| Molecular formula: C15H16O7 |
| Canonical SMILES : C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.O |
Synonymes : (+)-Catechin Hydrate|Catechin hydrate|225937-10-0|(+)-catechin monohydrate|(2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol hydrate|88191-48-4|(+)-Cyanidol-3|CHEBI:58994|(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol monohydrate|(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol|(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate|D-Catechin hydrate|MLS001056745|(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol--water (1/1)|2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol monohydrate, (2R-trans)-|2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, monohydrate, (2R-trans)-|SMR000326724|MFCD00149354|Cianidanol (JAN/INN)|SCHEMBL133974|CHEMBL1256783|DTXSID801007988|HMS2233I24|HMS3649E10|MFCD00150865|AKOS016843747|DS-2787|(+)-3,3',4',5,7-Flavanpentol . H2O|D00200|S00276|(+)-Catechin hydrate, >=98% (HPLC), powder|W-104471|(+/-)-Catechin hydrate, purum, >=96.0% (HPLC)|Q27126384|SR-01000075742-11|SR-01000075742-15|(+)-Catechin hydrate, >=96.0% (sum of enantiomers, HPLC)|(+/-)-Catechin hydrate, primary pharmaceutical reference standard|(2R,3S)-2-(3,4-Dihydroxyphenyl)-chroman-3,5,7-triol hydrate|(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol hydrate|2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, monohydrate, (2R,3S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.170 |
| Log Po/w (XLOGP3) : -0.110 |
| Log Po/w (WLOGP) : 1.160 |
| Log Po/w (MLOGP) : -0.560 |
| Log Po/w (SILICOS-IT) : 0.980 |
| Consensus Log Po/w : 0.530 |