Preechinulin
AlkaPlorer ID: AK052208
Synonym: None
IUPAC Name: (3S,6S)-3-methyl-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](C)N=C2O)C2=CC=CC=C2N1
InChI: InChI=1S/C19H23N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-9,11,15,21H,1,10H2,2-4H3,(H,20,24)(H,22,23)/t11-,15-/m0/s1
InChIKey: LVPZJIGICMPWFH-NHYWBVRUSA-N
Reference
Isoechinulin-type Alkaloids, Variecolorins A–L, from Halotolerant Aspergillus variecolor
PubChem CID: 44445554
LOTUS: LTS0119371
NPASS: NPC285469
{NPAtlas: NPA020089
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus chevalieri | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 325.412
TPSA？: 80.97
MolLogP？: 3.857700000000002
Number of H-Donors: 3
Number of H-Acceptors: 2
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 |
| Chlorocebus sabaeus | Vero C1008 | CC50 | 100000.0 | nM | 10.1021/acs.jnatprod.1c01120 |
| Hepacivirus hominis | Hepatitis C virus | IC50 | 20000.0 | nM | 10.1021/acs.jnatprod.1c01120 |
| Hepacivirus hominis | Hepatitis C virus | IC90 | 20000.0 | nM | 10.1021/acs.jnatprod.1c01120 |
| Homo sapiens | Huh7.5.1 | CC50 | 20000.0 | nM | 10.1021/acs.jnatprod.1c01120 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 40000.0 | nM | 10.1021/acs.jnatprod.1c01120 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC90 | 40000.0 | nM | 10.1021/acs.jnatprod.1c01120 |
| None | NON-PROTEIN TARGET | Inhibition | 14.89 | % | 10.1016/j.ejmech.2015.02.006 |
| None | No relevant target | IC50 | 1003000.0 | nM | 10.1021/np070208z |