Isomigrastatin; 9-Deoxy, 17R-hydroxy
AlkaPlorer ID: AK302951
Synonym: 17-Hydroxy-9-deoxyisomigrastatin
IUPAC Name: 4-[2-hydroxy-7-(5-methoxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl)-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
Structure
SMILES: COC1C=CCCC=CC(=O)OC(C(C)=CC(C)C(=O)CC(O)CC2CC(=O)NC(=O)C2)C(C)C1
InChI: InChI=1S/C27H39NO7/c1-17(23(30)16-21(29)13-20-14-24(31)28-25(32)15-20)11-18(2)27-19(3)12-22(34-4)9-7-5-6-8-10-26(33)35-27/h7-11,17,19-22,27,29H,5-6,12-16H2,1-4H3,(H,28,31,32)
InChIKey: XQRXLBIVVWVMSW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces amphibiosporus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 489.6090000000004
TPSA？: 119.0
MolLogP？: 3.1910000000000016
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|