Antibiotic GE 2270; Antibiotic GE 2270A, 8,9-Didehydro
AlkaPlorer ID: AK288437
Synonym: Antibiotic GE 2270T, GE 2270T
IUPAC Name: 1-[2-[2-[16,23,30,33-tetrahydroxy-18-(2-hydroxy-2-methyliminoethyl)-35-[hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,16,19(41),21,23,26(40),28,30,33,36(39)-heptadecaen-8-yl]-1,3-thiazol-4-yl]-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboximidic acid
Structure
SMILES: CN=C(O)CC1N=C(O)C2=CSC(=N2)C2=CC=C(C3=NC(C4=NC(C(=O)N5CCCC5C(=N)O)=CO4)=CS3)N=C2C2=CSC(=N2)C2=CSC(=N2)C(C(O)C2=CC=CC=C2)N=C(O)CN=C(O)C2=C(COC)SC(=N2)C(C(C)C)N=C(O)C2=C(C)SC1=N2
InChI: InChI=1S/C56H53N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,18,20-24,29,35,39,43-44,74H,9,12,15-17,19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)
InChIKey: GIVOHZKWHVHHNJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Planobispora rosea | Planobispora | Streptosporangiaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1288.5369999999996
TPSA？: 373.06
MolLogP？: 11.511889999999994
Number of H-Donors: 8
Number of H-Acceptors: 24
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|