Unnarmicin A
AlkaPlorer ID: AK064464
Synonym: None
IUPAC Name: (3S,6S,9R,12S,16R)-3,9-dibenzyl-6,12-bis(2-methylpropyl)-16-propyl-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone
Structure
SMILES: CCC[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/C36H50N4O6/c1-6-13-27-22-32(41)37-28(18-23(2)3)33(42)39-30(20-25-14-9-7-10-15-25)35(44)38-29(19-24(4)5)34(43)40-31(36(45)46-27)21-26-16-11-8-12-17-26/h7-12,14-17,23-24,27-31H,6,13,18-22H2,1-5H3,(H,37,41)(H,38,44)(H,39,42)(H,40,43)/t27-,28+,29+,30-,31+/m1/s1
InChIKey: NATXEXVBDCHDQS-NBCLCUQJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Photobacterium sp. | Photobacterium | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 634.8180000000002
TPSA？: 156.66
MolLogP？: 6.980000000000008
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 | 0.31 | ug.mL-1 | 10.1016/j.ejmech.2016.11.022 |
| None | Unchecked | IC50 | 2.29 | ug.mL-1 | 10.1016/j.ejmech.2016.11.022 |