60422-89-1
AlkaPlorer ID: AK037959
Synonym: '', 'Isoechinulin C'
IUPAC Name: (3Z)-3-[[5-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-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]3OC3(C)C)=CC=C2N1
InChI: InChI=1S/C24H27N3O3/c1-7-23(3,4)20-16(12-18-22(29)25-13(2)21(28)27-18)15-10-14(8-9-17(15)26-20)11-19-24(5,6)30-19/h7-10,12,19,26H,1-2,11H2,3-6H3,(H,25,29)(H,27,28)/b18-12-/t19-/m1/s1
InChIKey: XMXFNKUBZDSBML-XLXASQRYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ruber | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 405.49800000000016
TPSA？: 94.56
MolLogP？: 2.7917000000000005
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|