Aspechinulin C
AlkaPlorer ID: AK000319
Synonym: None
IUPAC Name: (3Z,6S)-6-methyl-1-(3-methylbut-2-enoyl)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Structure
SMILES: C[C@H]1C(=O)N/C(=C\C2=C(NC3=CC=CC=C32)C(C)(C)C=C)/C(=O)N1C(=O)C=C(C)C
InChI: InChI=1S/C24H27N3O3/c1-7-24(5,6)21-17(16-10-8-9-11-18(16)25-21)13-19-23(30)27(15(4)22(29)26-19)20(28)12-14(2)3/h7-13,15,25H,1H2,2-6H3,(H,26,29)/b19-13-/t15-/m0/s1
InChIKey: LORBCJDSUFSFRD-CCNLRRDASA-N
Reference
Recent Discovery of Nitrogen Heterocycles from Marine-Derived Aspergillus Species
PubChem CID: 170989471
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 405.4980000000002
TPSA？: 82.27000000000001
MolLogP？: 3.8121000000000027
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|