Asperversiamide J
AlkaPlorer ID: AK121919
Synonym: 'Asperversiamide J'
IUPAC Name: 2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-f]indole-6-carbaldehyde
Structure
SMILES: C=CC(C)(C)C1=C(C=O)C2=C(C=C3OC(C)(C)C=CC3=C2)N1
InChI: InChI=1S/C19H21NO2/c1-6-18(2,3)17-14(11-21)13-9-12-7-8-19(4,5)22-16(12)10-15(13)20-17/h6-11,20H,1H2,2-5H3
InChIKey: WQNPZZDKVSQQDS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus versicolor | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 295.38199999999995
TPSA？: 42.09
MolLogP？: 4.628200000000004
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | nan | None | 10.1021/acs.jnatprod.9b00183 |
| Homo sapiens | HeLa | IC50 | 6400.0 | nM | 10.1021/acs.jnatprod.9b00183 |
| Homo sapiens | HepG2 | IC50 | nan | None | 10.1021/acs.jnatprod.9b00183 |
| Homo sapiens | MCF7 | IC50 | nan | None | 10.1021/acs.jnatprod.9b00183 |
| Homo sapiens | NCM460 | IC50 | nan | None | 10.1021/acs.jnatprod.9b00183 |