Aurantiamine
AlkaPlorer ID: AK013483
Synonym: None
IUPAC Name: (3E,6S)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione
Structure
SMILES: C=CC(C)(C)C1=C(/C=C2/N=C(O)[C@H](C(C)C)N=C2O)N=CN1
InChI: InChI=1S/C16H22N4O2/c1-6-16(4,5)13-10(17-8-18-13)7-11-14(21)20-12(9(2)3)15(22)19-11/h6-9,12H,1H2,2-5H3,(H,17,18)(H,19,22)(H,20,21)/b11-7+/t12-/m0/s1
InChIKey: RSGRSUVVCYUKLM-VNKGSWCUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus insuetus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 302.378
TPSA？: 93.86
MolLogP？: 3.165400000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 15100.0 | nM | 10.1021/np900085n |