Unnarmicin C
AlkaPlorer ID: AK068432
Synonym: None
IUPAC Name: (3S,6S,9R,12S,16R)-3,9-dibenzyl-6,12-bis(2-methylpropyl)-16-pentyl-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone
Structure
SMILES: CCCCC[C@@H]1CC(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CC2=CC=CC=C2)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC2=CC=CC=C2)C(=O)O1
InChI: InChI=1S/C38H54N4O6/c1-6-7-10-19-29-24-34(43)39-30(20-25(2)3)35(44)41-32(22-27-15-11-8-12-16-27)37(46)40-31(21-26(4)5)36(45)42-33(38(47)48-29)23-28-17-13-9-14-18-28/h8-9,11-18,25-26,29-33H,6-7,10,19-24H2,1-5H3,(H,39,43)(H,40,46)(H,41,44)(H,42,45)/t29-,30+,31+,32-,33+/m1/s1
InChIKey: CMHSFIOSEWDMHG-CYEGLCQHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Photobacterium sp. | Photobacterium | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 662.8720000000002
TPSA？: 156.66
MolLogP？: 7.760200000000008
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 0.46 | ug.mL-1 | 10.1016/j.ejmech.2016.11.022 |
| None | Unchecked | IC50 | 3.74 | ug.mL-1 | 10.1016/j.ejmech.2016.11.022 |