Luminmycin A
AlkaPlorer ID: AK032583
Synonym: None
IUPAC Name: (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3E,5S,8S)-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-oxobutan-2-yl]dodeca-2,4-dienamide
Structure
SMILES: CCCCCCC/C=C/C=C/C(O)=N[C@H](C(O)=N[C@H]1CCCCN=C(O)/C=C/[C@H](C)N=C1O)[C@@H](C)O
InChI: InChI=1S/C27H44N4O5/c1-4-5-6-7-8-9-10-11-12-16-24(34)31-25(21(3)32)27(36)30-22-15-13-14-19-28-23(33)18-17-20(2)29-26(22)35/h10-12,16-18,20-22,25,32H,4-9,13-15,19H2,1-3H3,(H,28,33)(H,29,35)(H,30,36)(H,31,34)/b11-10+,16-12+,18-17+/t20-,21+,22-,25-/m0/s1
InChIKey: CXVPCSSIDACGGV-SBSLBVBZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Photorhabdus luminescens | Photorhabdus | Morganellaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 504.6720000000003
TPSA？: 150.59
MolLogP？: 5.531900000000005
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np300444e |
| Homo sapiens | HCT-116 | IC50 | 91.8 | nM | 10.1021/np300444e |
| Homo sapiens | MIA PaCa-2 | IC50 | 18.0 | nM | 10.1021/np300623x |
| Mus musculus | NIH3T3 | Activity | nan | None | 10.1021/np300623x |
| None | Unchecked | IC50 | 880.0 | nM | 10.1021/np300623x |