Neoechinulin
AlkaPlorer ID: AK056977
Synonym: 'Neoechinuline'
IUPAC Name: 5-hydroxy-6-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)indol-3-ylidene]methyl]-1,4-dihydropyrazine-2,3-dione
Structure
SMILES: C=CC(C)(C)C1=C(C=C2NC(=O)C(=O)NC2=O)C2=CC=C(CC=C(C)C)C=C2N1
InChI: InChI=1S/C23H25N3O3/c1-6-23(4,5)19-16(12-18-20(27)26-22(29)21(28)25-18)15-10-9-14(8-7-13(2)3)11-17(15)24-19/h6-7,9-12,24H,1,8H2,2-5H3,(H,25,28)(H,26,27,29)
InChIKey: UMQMXLLNFXQTIE-UHFFFAOYSA-N
Reference
Neoechinuline: a new indole metabolite from aspergillus amstelodami
CAS: 25644-25-1
LOTUS: LTS0259429
COCONUT: CNP0287099
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus amstelodami | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 391.4710000000001
TPSA？: 91.06
MolLogP？: 3.253700000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|