Nocathiacin I
AlkaPlorer ID: AK046265
Synonym: 'MJ347-81F4-A', 'Nocathiacine I', 'Nocathiacin I', 'MJ 347-81F4 A'
IUPAC Name: N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(1R,18R,21E,28S,29S,30R)-30-[(2R,4S,5S,6R)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-9,52-dihydroxy-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](N(C)C)[C@@H](C)O4)C(=O)OCC4=CC=CC(=C46)N5O)C4=NC(=CS4)C3=N2)=N1)C(=N)O
InChI: InChI=1S/C61H60N14O18S5/c1-22(48(62)78)63-49(79)31-19-97-57(68-31)42-36(77)12-27-41(70-42)30-17-95-55(65-30)29-16-91-59(84)44-28-15-89-45(46(93-37-13-61(5,86)47(74(6)7)25(4)92-37)60(85)90-14-26-10-9-11-35(38(26)28)75(44)87)43(58-69-32(20-98-58)50(80)64-29)73-52(82)34-21-96-56(67-34)40(24(3)88-8)72-53(83)39(23(2)76)71-51(81)33-18-94-54(27)66-33/h9-12,17-21,23,25,29,37,39,43,45-47,76-77,86-87H,1,13-16H2,2-8H3,(H2,62,78)(H,63,79)(H,64,80)(H,71,81)(H,72,83)(H,73,82)/b40-24+/t23-,25-,29-,37-,39-,43+,45+,46-,47+,61+/m1/s1
InChIKey: FFLJEMWVYVKPDW-YAWMQMKDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinokineospora fastidiosa | Actinokineospora | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1437.5659999999998
TPSA？: 462.9800000000001
MolLogP？: 8.08097000000001
Number of H-Donors: 11
Number of H-Acceptors: 31
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|