Esperamicin; Esperamicin A1b
AlkaPlorer ID: AK297938
Synonym: FR 900405, WS 6049A, Antibiotic FR 900405, Antibiotic WS 6049A
IUPAC Name: [6-[[2-[3-[5-(ethylamino)-4-methoxyoxan-2-yl]oxy-4-hydroxy-5-[(4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl)oxyamino]-6-methyloxan-2-yl]oxy-9-hydroxy-12-(methoxycarbonylamino)-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-1(12),5-dien-3,7-diynyl]oxy]-3-hydroxy-2-methyloxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate
Structure
SMILES: C=C(OC)C(O)=NC1=CC(OC)=C(OC)C=C1C(=O)OC1CC(OC2C(=O)C(N=C(O)OC)=C3C(=CCSSSC)C2(O)C#CC=CC#CC3OC2OC(C)C(NOC3CC(O)C(SC)C(C)O3)C(O)C2OC2CC(OC)C(NCC)CO2)OC(C)C1O
InChI: InChI=1S/C58H78N4O22S4/c1-13-59-35-27-76-42(25-38(35)72-7)82-51-49(65)46(62-84-44-24-36(63)52(85-11)30(4)78-44)28(2)79-56(51)81-37-18-16-14-15-17-20-58(70)33(19-21-87-88-86-12)45(37)47(61-57(69)75-10)50(66)53(58)83-43-26-41(48(64)29(3)77-43)80-55(68)32-22-39(73-8)40(74-9)23-34(32)60-54(67)31(5)71-6/h14-15,19,22-23,28-30,35-38,41-44,46,48-49,51-53,56,59,62-65,70H,5,13,21,24-27H2,1-4,6-12H3,(H,60,67)(H,61,69)
InChIKey: YMFOVOMSFHRXAM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
| Actinomadura verrucosospora | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1311.5360000000005
TPSA？: 333.52
MolLogP？: 3.881800000000008
Number of H-Donors: 8
Number of H-Acceptors: 28
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|