Haemanthidine
AlkaPlorer ID: AK004548
Synonym: 'Pancratine', '', '6-Hydroxycrinamine', 'Hemanthidine', 'Haemanthidine'
IUPAC Name: (1S,11S,13S,15S,18R)-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=C4[C@H](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+/m1/s1
InChIKey: ZSTPNQLNQBRLQF-UAQFGPKRSA-N
Reference
Isocarbostyril alkaloids from Haemanthus kalbreyeri
PubChem CID: 3002914
CAS: 466-73-9
LOTUS: LTS0242272
SuperNatural Ⅲ: SN0479323-15
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pancratium trianthum | Pancratium | 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 |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | A-431 | ED50 | 3.0 | ug ml-1 | 10.1021/np50098a030 |
| Homo sapiens | A549 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | AGS | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | BT-549 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | Col2 | ED50 | 6.0 | ug ml-1 | 10.1021/np50098a030 |
| Homo sapiens | COLO 201 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | HL-60 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | HT | ED50 | 1.6 | ug ml-1 | 10.1021/np50098a030 |
| Homo sapiens | HT-29 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | Jurkat | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | KB | ED50 | 3.6 | ug ml-1 | 10.1021/np50098a030 |
| Homo sapiens | LNCaP | ED50 | 0.7 | ug ml-1 | 10.1021/np50098a030 |
| Homo sapiens | Lu1 | ED50 | 2.1 | ug ml-1 | 10.1021/np50098a030 |
| Homo sapiens | MCF7 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | MDA-MB-231 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | MOLT-4 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | NCI-H1299 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | NHDF | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | PANC-1 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | SAOS-2 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | SK-BR-3 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | SK-MEL-2 | ED50 | 1.9 | ug ml-1 | 10.1021/np50098a030 |
| Homo sapiens | SW480 | IC50 | 300.0 | nM | 10.1016/j.ejmech.2021.113839 |
| Homo sapiens | ZR-75-1 | ED50 | 2.6 | ug ml-1 | 10.1021/np50098a030 |
| Mus musculus | P388 | ED50 | 0.4 | ug ml-1 | 10.1021/np50098a030 |
| None | NON-PROTEIN TARGET | ED50 | 8.4 | ug ml-1 | 10.1021/np50098a030 |
| None | NON-PROTEIN TARGET | ED50 | 20.0 | ug ml-1 | 10.1021/np50098a030 |