None
AlkaPlorer ID: AK324204
Synonym: None
IUPAC Name: (3S,7S,10S,13Z)-10-butan-2-yl-6-[(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)propanoyl]-16-hydroxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
Structure
SMILES: CCC(C)[C@@H]1N=C(O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC2=CNC3=CC=CC=C23)N(C)C)OC2=CC=C(O)C(=C2)/C=C\N=C1O
InChI: InChI=1S/C32H39N5O5/c1-5-19(2)28-30(39)33-14-12-20-16-22(10-11-26(20)38)42-27-13-15-37(29(27)31(40)35-28)32(41)25(36(3)4)17-21-18-34-24-9-7-6-8-23(21)24/h6-12,14,16,18-19,25,27-29,34,38H,5,13,15,17H2,1-4H3,(H,33,39)(H,35,40)/b14-12-/t19?,25-,27-,28-,29-/m0/s1
InChIKey: AAEXBEQXHOMNGV-NESVLQIZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus oxyphylla | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 573.6940000000002
TPSA？: 133.98
MolLogP？: 4.706700000000004
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MRC5 | IC50 | 64000.0 | nM | 10.1021/acs.jnatprod.6b00633 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 7100.0 | nM | 10.1021/acs.jnatprod.6b00633 |