(Z)-1'-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1',2'-dihydro-1H,3H-[2,3'-biindolylidene]-2',3-dione
AlkaPlorer ID: AK152256
Synonym: None
IUPAC Name: 2-[2-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]indol-3-one
Structure
SMILES: O=C1/C(=C2/C(=O)N([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C3=CC=CC=C23)NC2=CC=CC=C12
InChI: InChI=1S/C22H20N2O7/c25-9-14-18(27)19(28)20(29)22(31-14)24-13-8-4-2-6-11(13)15(21(24)30)16-17(26)10-5-1-3-7-12(10)23-16/h1-8,14,18-20,22-23,25,27-29H,9H2/b16-15-/t14-,18-,19+,20-,22-/m1/s1
InChIKey: GCDKLHOJTFNOCL-SNGJUDKNSA-N
Reference
NPASS: NPC475094
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strobilanthes cusia | Strobilanthes | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 424.4090000000001
TPSA？: 139.56
MolLogP？: -0.1474000000000004
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 5637 | IC50 | 14360.0 | nM | 10.1016/j.bmc.2008.04.003 |
| Homo sapiens | A-427 | IC50 | 11840.0 | nM | 10.1016/j.bmc.2008.04.003 |
| Homo sapiens | MCF7 | IC50 | 15670.0 | nM | 10.1016/j.bmc.2008.04.003 |
| Homo sapiens | MCF7 | IC50 | 15670.0 | nM | 10.1016/j.ejmech.2021.113652 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 62500.0 | nM | 10.1021/np5003274 |
| None | NON-PROTEIN TARGET | IC50 | 28920.0 | nM | 10.1016/j.bmc.2008.04.003 |