(2R,3S,4S,2'r,3'r)-2,2'-Bis-(3,4,5-Trihydroxy-Phenyl)-3,4,3',4'-Tetrahydro-2H,2'h-[4,8']Bichromenyl-3,5,7,3',5',7'-Hexaol
Representations & DB's id
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| ChEBI: | CHEBI:5270 | |
|---|---|---|
| ChEMBL: | CHEMBL349509 | |
| PubChem: | 442682 | |
| IUPAC: | (2R,3R)-2-(3,4,5-trihydroxyphenyl)-8-[(2R,3S,4S)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol | |
| Standard InChI: | InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24+,27+,28-,29-/m1/s1 | |
| Standard InChI Key: | RTEDIEITOBJPNI-MMKMIGCXSA-N | |
| SMILES: | Oc1cc(O)c2c(c1)O[C@@H]([C@H]([C@@H]2c1c(O)cc(c2c1O[C@@H]([C@@H](C2)O)c1cc(O)c(c(c1)O)O)O)O)c1cc(O)c(c(c1)O)O | |
Molecular propeties
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| AlogP: | 2.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 14 | |
| Hydrogen bonds donors: | 12 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 6 | |
| Molecular Weight: | 610.13 | |
| Topological polar surface area: | 261 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 30 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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