Nocathiacin II
AlkaPlorer ID: AK046274
Synonym: None
IUPAC Name: N'-[2-[(1S,18S,21E,28S,29S,30S)-30-[(2S,4S,5R,6S)-5-amino-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9-hydroxy-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-carbonyl]oxamide
Structure
SMILES: CO/C(C)=C1/N=C(O)[C@H]([C@@H](C)O)N=C(O)C2=CSC(=N2)C2=CC(O)=C(C3=NC(C(O)=NC(=O)C(N)=O)=CS3)N=C2C2=CSC(=N2)[C@@H]2COC(=O)C3=C4CO[C@H]([C@H](O[C@H]5C[C@](C)(O)[C@H](N)[C@H](C)O5)C(=O)OCC5=CC=CC(=C54)N3)[C@H](N=C(O)C3=CSC1=N3)C1=NC(=CS1)C(O)=N2
InChI: InChI=1S/C58H54N14O18S5/c1-19(73)35-49(80)70-36(20(2)85-5)53-65-30(17-93-53)47(78)71-40-41-42(90-33-10-58(4,84)43(59)21(3)89-33)57(83)87-11-22-7-6-8-25-34(22)24(12-86-41)38(61-25)56(82)88-13-26(62-45(76)28-16-95-55(40)67-28)52-63-27(14-92-52)37-23(51-64-29(15-91-51)46(77)69-35)9-32(74)39(68-37)54-66-31(18-94-54)48(79)72-50(81)44(60)75/h6-9,14-19,21,26,33,35,40-43,61,73-74,84H,10-13,59H2,1-5H3,(H2,60,75)(H,62,76)(H,69,77)(H,70,80)(H,71,78)(H,72,79,81)/b36-20+/t19-,21+,26+,33+,35+,40+,41+,42+,43-,58+/m1/s1
InChIKey: JLVQHFRHPZEAPL-HVLKWGBISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia sp. | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1395.485
TPSA？: 492.47000000000014
MolLogP？: 5.730300000000004
Number of H-Donors: 11
Number of H-Acceptors: 29
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|