Molecule

Chinikomycin A

AlkaPlorer ID: AK036355

Synonym: None

IUPAC Name: (2E,4E,6R)-N-[3-chloro-2,5-dihydroxy-4-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]phenyl]-2,4,6-trimethyldeca-2,4-dienamide

Structure

SMILES: CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=CC(O)=C(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)C(Cl)=C1O

InChI: InChI=1S/C31H37ClN2O6/c1-5-6-11-19(2)16-20(3)17-21(4)31(40)33-23-18-26(37)22(28(32)30(23)39)12-9-7-8-10-13-27(38)34-29-24(35)14-15-25(29)36/h7-10,12-13,16-19,35,37,39H,5-6,11,14-15H2,1-4H3,(H,33,40)(H,34,38)/b8-7+,12-9+,13-10+,20-16+,21-17+/t19-/m1/s1

InChIKey: ZFIDLGUORHJAKX-RWZZEPMSSA-N

Reference

Chinikomycins A and B: Isolation, Structure Elucidation, and Biological Activity of Novel Antibiotics from a Marine <i>Streptomyces</i> sp. Isolate M045<sup>,1</sup>

PubChem CID: 11273076

LOTUS: LTS0157499

SuperNatural Ⅲ: SN0468886-02

NPASS: NPC272375

{

NPAtlas: NPA003532

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces sp. M045	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 569.0980000000003

TPSA？: 135.96

MolLogP？: 6.782900000000007

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	Activity	nan	None	10.1021/np030518r
Candida albicans	Candida albicans	Activity	nan	None	10.1021/np030518r
Chlorella sorokiniana	Chlorella sorokiniana	Activity	nan	None	10.1021/np030518r
Chlorella vulgaris	Chlorella vulgaris	Activity	nan	None	10.1021/np030518r
Desmodesmus subspicatus	Desmodesmus subspicatus	Activity	nan	None	10.1021/np030518r
Encephalomyocarditis virus	Encephalomyocarditis virus	Activity	nan	None	10.1021/np030518r
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/np030518r
Rhizomucor miehei	Rhizomucor miehei	Activity	nan	None	10.1021/np030518r
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1021/np030518r
Streptomyces viridochromogenes	Streptomyces viridochromogenes	Activity	nan	None	10.1021/np030518r
None	NON-PROTEIN TARGET	IC50	2.41	ug.mL-1	10.1021/np030518r
None	NON-PROTEIN TARGET	IC50	4.02	ug.mL-1	10.1021/np030518r
None	NON-PROTEIN TARGET	IC50	4.15	ug.mL-1	10.1021/np030518r
None	NON-PROTEIN TARGET	IC50	6.0	ug.mL-1	10.1021/np030518r