(Z)-3-(3-hydroxy-5-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-7-[(1E)-2-[(Z)-[2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl]eth-1-en-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboximidic acid
AlkaPlorer ID: AK011495
Synonym: None
IUPAC Name: (2R,3S)-2-(3-hydroxy-5-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-6-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Structure
SMILES: COC1=CC([C@H]2OC3=CC=C(/C=C/C(O)=NCCC4=CC=C(O)C=C4)C=C3O[C@@H]2C(O)=NCCC2=CC=C(O)C=C2)=CC(O)=C1
InChI: InChI=1S/C35H34N2O8/c1-43-29-20-25(19-28(40)21-29)33-34(35(42)37-17-15-23-4-10-27(39)11-5-23)45-31-18-24(6-12-30(31)44-33)7-13-32(41)36-16-14-22-2-8-26(38)9-3-22/h2-13,18-21,33-34,38-40H,14-17H2,1H3,(H,36,41)(H,37,42)/b13-7+/t33-,34+/m1/s1
InChIKey: ABUYVRIWKJMSGL-RULIJYEHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lycium chinense | Lycium | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 610.6630000000004
TPSA？: 153.56
MolLogP？: 6.104700000000007
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 46400.0 | nM | 10.1021/np300655y |
| None | Radical scavenging activity | IC50 | 49800.0 | nM | 10.1021/np300655y |