Cyclizidine D
AlkaPlorer ID: AK052584
Synonym: None
IUPAC Name: (1S,2S,3S,7S,8S,8aR)-7-chloro-3-[(1E,3E)-4-cyclopropyl-2-methylbuta-1,3-dienyl]-1-methyl-3,5,6,7,8,8a-hexahydro-2H-indolizine-1,2,8-triol
Structure
SMILES: CC(/C=C/C1CC1)=C\[C@H]1[C@H](O)[C@@](C)(O)[C@H]2[C@H](O)[C@@H](Cl)CCN12
InChI: InChI=1S/C17H26ClNO3/c1-10(3-4-11-5-6-11)9-13-16(21)17(2,22)15-14(20)12(18)7-8-19(13)15/h3-4,9,11-16,20-22H,5-8H2,1-2H3/b4-3+,10-9+/t12-,13-,14+,15+,16-,17-/m0/s1
InChIKey: PQDKGJMNGJEHQN-FENXDROVSA-N
Reference
Cyclizidine-Type Alkaloids from <i>Streptomyces</i> sp. HNA39
PubChem CID: 139589902
LOTUS: LTS0190699
NPASS: NPC483515
{NPAtlas: NPA022560
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: 327.85200000000015
TPSA？: 63.93
MolLogP？: 1.4355999999999995
Number of H-Donors: 3
Number of H-Acceptors: 4
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 | 33000.0 | nM | 10.1021/acs.jnatprod.7b01055 |
| Homo sapiens | Rho-associated protein kinase 2 | IC50 | 100000.0 | nM | 10.1021/acs.jnatprod.7b01055 |