Nocathiacin III
AlkaPlorer ID: AK046283
Synonym: None
IUPAC Name: None
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(=O)OCC5=CC=CC(=C54)N3O)[C@H](N=C(O)C3=CSC1=N3)C1=NC(=CS1)C(O)=N2
InChI: InChI=1S/C51H41N13O17S5/c1-16(65)30-43(73)61-31(17(2)78-3)47-56-25(14-84-47)41(71)62-34-37-36(67)51(76)80-8-18-5-4-6-27-29(18)20(9-79-37)35(64(27)77)50(75)81-10-21(53-39(69)23-13-86-49(34)58-23)46-54-22(11-83-46)32-19(45-55-24(12-82-45)40(70)60-30)7-28(66)33(59-32)48-57-26(15-85-48)42(72)63-44(74)38(52)68/h4-7,11-16,21,30,34,36-37,65-67,77H,8-10H2,1-3H3,(H2,52,68)(H,53,69)(H,60,70)(H,61,73)(H,62,71)(H,63,72,74)/b31-17+/t16-,21+,30+,34+,36+,37+/m1/s1
InChIKey: PPYHMCZUBYBPFZ-XPEXILJUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia sp. | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1268.298
TPSA？: 457.3600000000001
MolLogP？: 5.203500000000003
Number of H-Donors: 10
Number of H-Acceptors: 28
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|