Variecolorin E
AlkaPlorer ID: AK066451
Synonym: None
IUPAC Name: (3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methyl-2-oxobutyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Structure
SMILES: C=CC(C)(C)C1=C(/C=C2\NC(=O)[C@H](C)NC2=O)C2=CC(CC(=O)C(C)C)=CC=C2N1
InChI: InChI=1S/C24H29N3O3/c1-7-24(5,6)21-17(12-19-23(30)25-14(4)22(29)27-19)16-10-15(8-9-18(16)26-21)11-20(28)13(2)3/h7-10,12-14,26H,1,11H2,2-6H3,(H,25,30)(H,27,29)/b19-12-/t14-/m0/s1
InChIKey: JYKCLUQGJQCYCI-YQNUULROSA-N
Reference
Isoechinulin-type Alkaloids, Variecolorins A–L, from Halotolerant Aspergillus variecolor
PubChem CID: 23655737
LOTUS: LTS0200690
NPASS: NPC6982
{NPAtlas: NPA006825
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Eurotium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 407.5140000000002
TPSA？: 91.06
MolLogP？: 3.374500000000002
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | LD50 | 24.0 | uM | 10.1021/np5007839 |
| Homo sapiens | Bel-7402 | IC50 | 50000.0 | nM | 10.1021/np070208z |
| Homo sapiens | HL-60 | IC50 | 50000.0 | nM | 10.1021/np070208z |
| Mus musculus | P388 | IC50 | 50000.0 | nM | 10.1021/np070208z |
| None | NON-PROTEIN TARGET | IC50 | 50000.0 | nM | 10.1021/np070208z |
| None | No relevant target | IC50 | 79000.0 | nM | 10.1021/np070208z |