Arthroamide
AlkaPlorer ID: AK063791
Synonym: None
IUPAC Name: (3S,6S,9R,12S,16R)-9-methyl-16-[(E)-2-phenylethenyl]-3,6,12-tri(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@H](C(C)C)N=C(O)[C@@H](C)N=C(O)[C@H](C(C)C)N=C(O)C[C@H](/C=C/C2=CC=CC=C2)OC1=O
InChI: InChI=1S/C29H42N4O6/c1-16(2)23-27(36)30-19(7)26(35)32-24(17(3)4)28(37)33-25(18(5)6)29(38)39-21(15-22(34)31-23)14-13-20-11-9-8-10-12-20/h8-14,16-19,21,23-25H,15H2,1-7H3,(H,30,36)(H,31,34)(H,32,35)(H,33,37)/b14-13+/t19-,21+,23+,24+,25+/m1/s1
InChIKey: YCQYXHBWHHEYIM-DNSLKWDESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Arthrobacter sp. | Arthrobacter | Micrococcaceae | Micrococcales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 542.6770000000001
TPSA？: 156.66
MolLogP？: 5.303600000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/acs.jnatprod.5b00540 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/acs.jnatprod.5b00540 |
| Micrococcus luteus | Micrococcus luteus | Activity | nan | None | 10.1021/acs.jnatprod.5b00540 |
| Staphylococcus aureus | Accessory gene regulator protein A | IC50 | 300.0 | nM | 10.1021/acs.jnatprod.5b00540 |
| Staphylococcus aureus | Accessory gene regulator protein A | Inhibition | 10.0 | % | 10.1021/acs.jnatprod.5b00540 |