C-1027 chromophore II
AlkaPlorer ID: AK025407
Synonym: None
IUPAC Name: [7-amino-4-chloro-20-[(2S,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.23,6.016,20]pentacosa-3(25),4,6(24),13(23),16,18-hexaen-14,21-diyn-12-yl] 7-methoxy-2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylate
Structure
SMILES: COC1=CC2=C(NC(=O)C(C)O2)C(C(=O)OC2COC(=O)CC(N)C3=CC(O)=C(OC4C#CC=C2C#CC2=CC=CC24O[C@@H]2OC(C)(C)[C@@H](N(C)C)C(O)C2O)C(Cl)=C3)=C1
InChI: InChI=1S/C43H44ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,21,28,31-32,35-36,38,41,48,50-51H,19-20,45H2,1-6H3,(H,46,52)/t21?,28?,31?,32?,35?,36?,38-,41-,43?/m0/s1
InChIKey: DSJNFFDHWUEBQM-KDUGLPQFSA-N
Reference
C-1027 Enediyne Chromophore: Presence of Another Active Form and Its Chemical Structure.
PubChem CID: 139583991
LOTUS: LTS0260222
{NPAtlas: NPA003212
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces globisporus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 846.2860000000003
TPSA？: 217.79999999999995
MolLogP？: 2.678600000000001
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|