2,7'-Cyclo-3,3',4,4',5-pentahydroxy-8,8'-lign-7-ene-9,9'-dioic acid; (7'R,8'S)-form, 3,5-Di-Me ether, bis[2-(4-hydroxyphenyl)ethylamide]
AlkaPlorer ID: AK293740
Synonym: None
IUPAC Name: 1-(3,4-dihydroxyphenyl)-7-hydroxy-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide
Structure
SMILES: COC1=CC2=C(C(OC)=C1O)C(C1=CC=C(O)C(O)=C1)C(C(O)=NCCC1=CC=C(O)C=C1)C(C(=O)NCCC1=CC=C(O)C=C1)=C2
InChI: InChI=1S/C36H36N2O9/c1-46-29-19-23-17-26(35(44)37-15-13-20-3-8-24(39)9-4-20)32(36(45)38-16-14-21-5-10-25(40)11-6-21)30(31(23)34(47-2)33(29)43)22-7-12-27(41)28(42)18-22/h3-12,17-19,30,32,39-43H,13-16H2,1-2H3,(H,37,44)(H,38,45)
InChIKey: UBINQRYXHNHCBT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Porcelia | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Lycium chinense | Lycium | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 640.6890000000002
TPSA？: 181.3
MolLogP？: 4.935000000000004
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | IC50 | 50100.0 | nM | 10.1021/np300655y |
| None | Radical scavenging activity | IC50 | 46500.0 | nM | 10.1021/np300655y |