C-1027
AlkaPlorer ID: AK011143
Synonym: None
IUPAC Name: [(1R,7S,12R,20R)-7-amino-4-chloro-20-[(2S,3R,4R,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-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylate
Structure
SMILES: C=C1OC2=CC(OC)=CC(C(=O)O[C@H]3COC(=O)C[C@H](N)C4=CC(O)=C(O[C@@H]5C#C/C=C\3C#CC3=CC=C[C@@]35O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]3O)C(Cl)=C4)=C2NC1=O
InChI: InChI=1S/C43H42ClN3O13/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/h8-10,14-18,28,31-32,35-36,38,41,48,50-51H,1,19-20,45H2,2-6H3,(H,46,52)/b22-9-/t28-,31-,32+,35-,36+,38-,41-,43+/m0/s1
InChIKey: DGGZCXUXASNDAC-RGWMEMBHSA-N
Reference
A new macromolecular antitumor antibiotic, C-1027. II. Isolation and physico-chemical properties.
PubChem CID: 145720554
LOTUS: LTS0139137
{NPAtlas: NPA018592
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces globisporus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 844.2700000000001
TPSA？: 217.8
MolLogP？: 2.8038000000000007
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|