Cyclizidine B
AlkaPlorer ID: AK033922
Synonym: None
IUPAC Name: (1S,2S,3S,8aR)-3-[(1E,3E)-4-cyclopropyl-2-methylbuta-1,3-dienyl]-1-methyl-3,5,6,7,8,8a-hexahydro-2H-indolizine-1,2-diol
Structure
SMILES: CC(/C=C/C1CC1)=C\[C@H]1[C@H](O)[C@@](C)(O)[C@H]2CCCCN12
InChI: InChI=1S/C17H27NO2/c1-12(6-7-13-8-9-13)11-14-16(19)17(2,20)15-5-3-4-10-18(14)15/h6-7,11,13-16,19-20H,3-5,8-10H2,1-2H3/b7-6+,12-11+/t14-,15+,16-,17-/m0/s1
InChIKey: ABNQIBOOQKGLRG-BPODRKPHSA-N
Reference
Cyclizidine-Type Alkaloids from <i>Streptomyces</i> sp. HNA39
PubChem CID: 139589900
LOTUS: LTS0257685
NPASS: NPC483513
{NPAtlas: NPA022558
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. HNA39 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 277.408
TPSA？: 43.7
MolLogP？: 2.2475
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.7b01055 |
| Homo sapiens | PC-3 | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.7b01055 |
| Homo sapiens | Rho-associated protein kinase 2 | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.7b01055 |