hamayne Trifluoroacetic acid
AlkaPlorer ID: AK001633
Synonym: '', '(+)-11-Hydroxyvittatine', 'Hamayne', 'Bulbispermine'
IUPAC Name: (1R,13S,15R,18R)-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-15,18-diol
Structure
SMILES: O[C@H]1C=C[C@]23C4=CC5=C(C=C4CN(C[C@@H]2O)[C@H]3C1)OCO5
InChI: InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14-,15-,16+/m0/s1
InChIKey: KWAOMPWGIIXDPH-BLQKSXIESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crinum yemense | Crinum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 287.31500000000005
TPSA？: 62.16000000000001
MolLogP？: 0.5325999999999997
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | Activity | 96.7 | % | 10.1021/np030529k |
| None | ADMET | Activity | 97.6 | % | 10.1021/np030529k |
| None | ADMET | Activity | 100.3 | % | 10.1021/np030529k |
| None | ADMET | Activity | 101.2 | % | 10.1021/np030529k |
| None | ADMET | Activity | 102.4 | % | 10.1021/np030529k |
| None | Macrophage | IC50 | 24000.0 | nM | 10.1021/np030529k |
| None | Macrophage | Inhibition | 3.1 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 7.4 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 28.6 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 55.6 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 82.0 | % | 10.1021/np030529k |