CE-108
AlkaPlorer ID: AK041526
Synonym: None
IUPAC Name: (1R,13R,15E,17E,19E,21E,23R,25S,26R,27S)-23-(4-amino-3,5-dihydroxy-6-methyloxan-2-yl)oxy-10-ethyl-1,3,9,27-tetrahydroxy-13-methyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid
Structure
SMILES: CCC1C(=O)O[C@H](C)C/C=C/C=C/C=C/C=C/[C@H](OC2OC(C)C(O)C(N)C2O)C[C@@H]2O[C@](O)(CC(O)CCCC(=O)CC1O)C[C@H](O)[C@H]2C(=O)O
InChI: InChI=1S/C37H57NO14/c1-4-26-27(41)17-23(39)14-12-15-24(40)19-37(48)20-28(42)30(34(45)46)29(52-37)18-25(51-36-33(44)31(38)32(43)22(3)50-36)16-11-9-7-5-6-8-10-13-21(2)49-35(26)47/h5-11,16,21-22,24-33,36,40-44,48H,4,12-15,17-20,38H2,1-3H3,(H,45,46)/b6-5+,9-7+,10-8+,16-11+/t21-,22?,24?,25+,26?,27?,28+,29+,30-,31?,32?,33?,36?,37-/m1/s1
InChIKey: WENZSKRHIWIHNO-MZMFGJKYSA-N
Reference
CE-108, a New Macrolide Tetraene Antibiotic
PubChem CID: 139585774
LOTUS: LTS0260425
{NPAtlas: NPA009659
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces diastaticus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 739.8560000000001
TPSA？: 255.76
MolLogP？: 0.9226000000000032
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|