(3S,4S,6R,7R)-9-cyano-3,13-dihydroxy-6-methyl-11,18-dioxo-5-oxa-9-azapentacyclo[8.8.0.0²,⁸.0⁴,⁶.0¹²,¹⁷]octadeca-1(10),2(8),12(17),13,15-pentaen-7-yl acetate
AlkaPlorer ID: AK256685
Synonym: None
IUPAC Name: [(3S,4S,6R,7R)-9-cyano-3,13-dihydroxy-6-methyl-11,18-dioxo-5-oxa-9-azapentacyclo[8.8.0.02,8.04,6.012,17]octadeca-1(10),2(8),12(17),13,15-pentaen-7-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1C2=C(C3=C(C(=O)C4=C(O)C=CC=C4C3=O)N2C#N)[C@H](O)[C@@H]2O[C@]12C
InChI: InChI=1S/C20H14N2O7/c1-7(23)28-18-14-12(17(27)19-20(18,2)29-19)11-13(22(14)6-21)16(26)10-8(15(11)25)4-3-5-9(10)24/h3-5,17-19,24,27H,1-2H3/t17-,18+,19-,20+/m0/s1
InChIKey: SMRYWTNEKLQXTC-ZGXWSNOMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces chattanoogensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 394.3390000000001
TPSA？: 142.15
MolLogP？: 1.10698
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|