(2R,3S,4S)-4-[(2-aminoethyl)sulfanyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
AlkaPlorer ID: AK055878
Synonym: None
IUPAC Name: (2R,3S,4S)-4-(2-aminoethylsulfanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Structure
SMILES: NCCS[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@@H]1O
InChI: InChI=1S/C17H19NO6S/c18-3-4-25-17-14-12(22)6-9(19)7-13(14)24-16(15(17)23)8-1-2-10(20)11(21)5-8/h1-2,5-7,15-17,19-23H,3-4,18H2/t15-,16+,17-/m0/s1
InChIKey: RTWGDOBXVVOEQF-BBWFWOEESA-N
Source
Properties Information
Molecule Weight: 365.407
TPSA？: 136.4
MolLogP？: 1.7366
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 89400.0 | nM | 10.1016/j.bmcl.2004.08.004 |