Apetaline A
AlkaPlorer ID: AK052789
Synonym: None
IUPAC Name: (2E)-N-[(2S)-1-[(3S,7S,10S,13Z)-10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(18),13,15(19),16-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyiminopropanamide
Structure
SMILES: C/C(=N/O)C(O)=N[C@H](C(=O)N1CC[C@@H]2OC3=CC=C(/C=C\N=C(O)[C@H](CC4=CC=CC=C4)N=C(O)[C@H]21)C=C3)C(C)C
InChI: InChI=1S/C30H35N5O6/c1-18(2)25(33-27(36)19(3)34-40)30(39)35-16-14-24-26(35)29(38)32-23(17-21-7-5-4-6-8-21)28(37)31-15-13-20-9-11-22(41-24)12-10-20/h4-13,15,18,23-26,40H,14,16-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/b15-13-,34-19-/t23-,24-,25-,26-/m0/s1
InChIKey: FADRDHDLIJSOGO-NVGWCTLGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus apetala | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 561.6390000000001
TPSA？: 159.9
MolLogP？: 4.3747000000000025
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | BGC-823 | Activity | None | None | 10.1021/np200755t |
| Homo sapiens | HeLa | Activity | None | None | 10.1021/np200755t |