Haemanthidine
AlkaPlorer ID: AK004553
Synonym: 'Pancratine', '', '6-Hydroxycrinamine', 'Hemanthidine', 'Haemanthidine'
IUPAC Name: (1R,13S,15R,18S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
Structure
SMILES: CO[C@H]1C=C[C@]23C4=CC5=C(C=C4C(O)N(C[C@H]2O)[C@H]3C1)OCO5
InChI: InChI=1S/C17H19NO5/c1-21-9-2-3-17-11-6-13-12(22-8-23-13)5-10(11)16(20)18(7-15(17)19)14(17)4-9/h2-3,5-6,9,14-16,19-20H,4,7-8H2,1H3/t9-,14-,15+,16?,17+/m0/s1
InChIKey: ZSTPNQLNQBRLQF-KTZSIVBYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crinum bulbispermum | Crinum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Crinum yemense | Crinum | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 317.3410000000001
TPSA？: 71.39000000000001
MolLogP？: 0.6775999999999998
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | Activity | 108.3 | % | 10.1021/np030529k |
| None | ADMET | Activity | 110.1 | % | 10.1021/np030529k |
| None | ADMET | Activity | 115.3 | % | 10.1021/np030529k |
| None | ADMET | Activity | 117.3 | % | 10.1021/np030529k |
| None | ADMET | Activity | 120.0 | % | 10.1021/np030529k |
| None | Macrophage | IC50 | 5400.0 | nM | 10.1021/np030529k |
| None | Macrophage | Inhibition | -23.1 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | -11.2 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 6.3 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 30.3 | % | 10.1021/np030529k |
| None | Macrophage | Inhibition | 69.5 | % | 10.1021/np030529k |