3-methyl-6-[[1-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-2,5-piperazinedione
AlkaPlorer ID: AK075543
Synonym: None
IUPAC Name: (3S,6S)-3-methyl-6-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]piperazine-2,5-dione
Structure
SMILES: CC(C)=CCN1C=C(C[C@@H]2N=C(O)[C@H](C)N=C2O)C2=CC=CC=C21
InChI: InChI=1S/C19H23N3O2/c1-12(2)8-9-22-11-14(15-6-4-5-7-17(15)22)10-16-19(24)20-13(3)18(23)21-16/h4-8,11,13,16H,9-10H2,1-3H3,(H,20,24)(H,21,23)/t13-,16-/m0/s1
InChIKey: UNYNGLCVZKLLDV-BBRMVZONSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ruber | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 325.4120000000001
TPSA？: 70.11
MolLogP？: 3.833700000000002
Number of H-Donors: 2
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 | 25.42 | % | 10.1016/j.ejmech.2015.02.006 |