Cyclizidine I
AlkaPlorer ID: AK052768
Synonym: None
IUPAC Name: (1S,2S,3S,7S,8S,8aR)-7-chloro-3-[(2Z,4E)-7-hydroxy-2-methylhepta-2,4-dienyl]-1-methyl-3,5,6,7,8,8a-hexahydro-2H-indolizine-1,2,8-triol
Structure
SMILES: C/C(=C/C=C/CCO)C[C@H]1[C@H](O)[C@@](C)(O)[C@H]2[C@H](O)[C@@H](Cl)CCN12
InChI: InChI=1S/C17H28ClNO4/c1-11(6-4-3-5-9-20)10-13-16(22)17(2,23)15-14(21)12(18)7-8-19(13)15/h3-4,6,12-16,20-23H,5,7-10H2,1-2H3/b4-3+,11-6-/t12-,13-,14+,15+,16-,17-/m0/s1
InChIKey: VHNNDXMHAPLFIS-VQZDQMHOSA-N
Reference
Cyclizidine-Type Alkaloids from <i>Streptomyces</i> sp. HNA39
PubChem CID: 139589907
LOTUS: LTS0142022
NPASS: NPC483520
{NPAtlas: NPA022565
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: 345.86700000000013
TPSA？: 84.16
MolLogP？: 0.7981
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
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 | 39000.0 | nM | 10.1021/acs.jnatprod.7b01055 |