Rubrumline J
AlkaPlorer ID: AK097494
Synonym: None
IUPAC Name: (3S,6S)-3-(hydroxymethyl)-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
Structure
SMILES: C=CC(C)(C)C1=C(C[C@@H]2N=C(O)[C@H](CO)N=C2O)C2=CC=CC=C2N1
InChI: InChI=1S/C19H23N3O3/c1-4-19(2,3)16-12(11-7-5-6-8-13(11)20-16)9-14-17(24)22-15(10-23)18(25)21-14/h4-8,14-15,20,23H,1,9-10H2,2-3H3,(H,21,25)(H,22,24)/t14-,15-/m0/s1
InChIKey: ALXJKUQKWHRWQQ-GJZGRUSLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ruber | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 341.411
TPSA？: 101.20000000000002
MolLogP？: 2.8301000000000007
Number of H-Donors: 4
Number of H-Acceptors: 3
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 | 12.99 | % | 10.1016/j.ejmech.2015.02.006 |