Rubrumline E
AlkaPlorer ID: AK097482
Synonym: 'Rubrumline E'
IUPAC Name: (3Z)-3-[[5-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
Structure
SMILES: C=CC(C)(C)C1=C(/C=C2\N=C(O)C(=C)N=C2O)C2=CC(C[C@H](O)C(C)(C)OC)=CC=C2N1
InChI: InChI=1S/C25H31N3O4/c1-8-24(3,4)21-17(13-19-23(31)26-14(2)22(30)28-19)16-11-15(9-10-18(16)27-21)12-20(29)25(5,6)32-7/h8-11,13,20,27,29H,1-2,12H2,3-7H3,(H,26,31)(H,28,30)/b19-13-/t20-/m0/s1
InChIKey: FVZOTPZNUUTBPN-DTBYZMGXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ruber | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 437.5400000000002
TPSA？: 111.49
MolLogP？: 2.4002
Number of H-Donors: 4
Number of H-Acceptors: 6
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 | 5.0 | % | 10.1016/j.ejmech.2015.02.006 |