3-{[1-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-6-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}piperazine-2,5-dione
AlkaPlorer ID: AK030138
Synonym: None
IUPAC Name: (3S,6S)-3-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]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](CC3=CN(C(C)(C)C=C)C4=CC=CC=C34)N=C2O)C2=CC=CC=C2N1
InChI: InChI=1S/C32H36N4O2/c1-7-31(3,4)28-23(22-14-9-11-15-24(22)33-28)18-26-30(38)34-25(29(37)35-26)17-20-19-36(32(5,6)8-2)27-16-12-10-13-21(20)27/h7-16,19,25-26,33H,1-2,17-18H2,3-6H3,(H,34,38)(H,35,37)/t25-,26-/m0/s1
InChIKey: CSKRCVQJKJFWGN-UIOOFZCWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium simplicissimum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 508.66600000000017
TPSA？: 85.9
MolLogP？: 6.956300000000007
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|