Rubrumline G
AlkaPlorer ID: AK068311
Synonym: None
IUPAC Name: [(2S)-3-hydroxy-3-methyl-1-[2-(2-methylbut-3-en-2-yl)-3-[[(2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl]methyl]-1H-indol-5-yl]butan-2-yl] acetate
Structure
SMILES: C=CC(C)(C)C1=C(C[C@@H]2N=C(O)[C@H](C)N=C2O)C2=CC(C[C@H](OC(C)=O)C(C)(C)O)=CC=C2N1
InChI: InChI=1S/C26H35N3O5/c1-8-25(4,5)22-18(13-20-24(32)27-14(2)23(31)29-20)17-11-16(9-10-19(17)28-22)12-21(26(6,7)33)34-15(3)30/h8-11,14,20-21,28,33H,1,12-13H2,2-7H3,(H,27,32)(H,29,31)/t14-,20-,21-/m0/s1
InChIKey: MOKDBBWSLJPCNA-WVFSVQOHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ruber | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 469.5820000000002
TPSA？: 127.50000000000004
MolLogP？: 4.102800000000003
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Canis lupus familiaris | MDCK | CC50 | 200000.0 | nM | 10.1016/j.ejmech.2015.02.006 |
| None | NON-PROTEIN TARGET | Inhibition | 3.48 | % | 10.1016/j.ejmech.2015.02.006 |