MJ347-81F4-B
AlkaPlorer ID: AK011577
Synonym: '', 'MJ347-81F4-B', 'MJ 347-81F4 B'
IUPAC Name: N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(1S,18R,21E,28S,29R,30S)-9,52-dihydroxy-30-[(2S,4R,5R,6R)-4-hydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-18-[(1R)-1-hydroxyethyl]-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide
Structure
SMILES: C=C(N=C(O)C1=CSC(C2=C(O)C=C3C4=NC(=CS4)C(O)=N[C@H]([C@@H](C)O)C(O)=N/C(=C(\C)OC)C4=NC(=CS4)C(O)=N[C@@H]4C5=NC(=CS5)C(O)=N[C@@H](COC(=O)C5=C6CO[C@H]4[C@H](O[C@H]4C[C@@](C)(O)[C@H](NC)[C@@H](C)O4)C(=O)OCC4=C6C(=CC=C4)N5O)C4=NC(=CS4)C3=N2)=N1)C(=N)O
InChI: InChI=1S/C60H58N14O18S5/c1-21(47(61)77)63-48(78)30-18-96-56(68-30)41-35(76)11-26-40(70-41)29-16-94-54(65-29)28-15-90-58(83)43-27-14-88-44(45(92-36-12-60(5,85)46(62-6)24(4)91-36)59(84)89-13-25-9-8-10-34(37(25)27)74(43)86)42(57-69-31(19-97-57)49(79)64-28)73-51(81)33-20-95-55(67-33)39(23(3)87-7)72-52(82)38(22(2)75)71-50(80)32-17-93-53(26)66-32/h8-11,16-20,22,24,28,36,38,42,44-46,62,75-76,85-86H,1,12-15H2,2-7H3,(H2,61,77)(H,63,78)(H,64,79)(H,71,80)(H,72,82)(H,73,81)/b39-23+/t22-,24-,28+,36+,38-,42+,44-,45+,46-,60-/m1/s1
InChIKey: RQEPNTVQILZFPS-PLJSFUDUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1423.539
TPSA？: 471.77
MolLogP？: 7.7387700000000095
Number of H-Donors: 12
Number of H-Acceptors: 31
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|