Antibiotic NeoC-1027 chromophore I
AlkaPlorer ID: AK025392
Synonym: None
IUPAC Name: [19-amino-22-chloro-4-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-23-hydroxy-17-oxo-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8]pentacosa-1(23),5,7,9,11,13(25),20(24),21-octaen-14-yl] 7-methoxy-2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylate
Structure
SMILES: COC1=CC2=C(N=C(O)C(C)O2)C(C(=O)OC2COC(=O)CC(N)C3=CC(O)=C(OC4C5=CC=C2C=C5C2=CC=CC24O[C@@H]2OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]2O)C(Cl)=C3)=C1
InChI: InChI=1S/C43H46ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,19,28,31,34-35,37-38,41,48,50-51H,17-18,45H2,1-6H3,(H,46,52)/t19?,28?,31?,34-,35+,37-,38?,41-,43?/m0/s1
InChIKey: YXTUNLGGWZOWLU-WDLYIYFNSA-N
Reference
C-1027 Enediyne Chromophore: Presence of Another Active Form and Its Chemical Structure.
PubChem CID: 10259980
LOTUS: LTS0121891
{NPAtlas: NPA011460
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces globisporus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 848.3020000000002
TPSA？: 221.29
MolLogP？: 4.897100000000006
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|