Variecolorin G
AlkaPlorer ID: AK035964
Synonym: None
IUPAC Name: (3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)-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(CC=C(C)C)=C2N1
InChI: InChI=1S/C24H29N3O2/c1-7-24(5,6)21-18(13-19-23(29)25-15(4)22(28)26-19)17-10-8-9-16(20(17)27-21)12-11-14(2)3/h7-11,13,15,27H,1,12H2,2-6H3,(H,25,29)(H,26,28)/b19-13-/t15-/m0/s1
InChIKey: CVRBXJYAJQNPNW-CCNLRRDASA-N
Reference
Isoechinulin-type Alkaloids, Variecolorins A–L, from Halotolerant Aspergillus variecolor
PubChem CID: 23655738
LOTUS: LTS0232606
NPASS: NPC187951
{NPAtlas: NPA001703
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: 391.51500000000016
TPSA？: 73.99000000000001
MolLogP？: 4.115600000000002
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | LD50 | 22.0 | uM | 10.1021/np5007839 |
| Artemia salina | Artemia salina | LD50 | 42.6 | ug ml-1 | 10.1016/j.bmcl.2012.05.088 |
| 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 | 86000.0 | nM | 10.1021/np070208z |