Asperversiamide M
AlkaPlorer ID: AK054327
Synonym: None
IUPAC Name: (3S,8aS)-3-[[(6R)-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)-7-oxo-8H-pyrano[3,2-f]indol-6-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Structure
SMILES: C=CC(C)(C)[C@@]1(C[C@@H]2N=C(O)[C@@H]3CCCN3C2=O)C(O)=NC2=C1C=C1C=CC(C)(C)OC1=C2
InChI: InChI=1S/C26H31N3O4/c1-6-24(2,3)26(14-18-22(31)29-11-7-8-19(29)21(30)27-18)16-12-15-9-10-25(4,5)33-20(15)13-17(16)28-23(26)32/h6,9-10,12-13,18-19H,1,7-8,11,14H2,2-5H3,(H,27,30)(H,28,32)/t18-,19-,26+/m0/s1
InChIKey: MTVNXTIKSNTFEN-LZJCXSABSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Aspergillus versicolor | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 449.5510000000002
TPSA？: 94.72
MolLogP？: 4.642200000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | None | None | 10.1021/acs.jnatprod.9b00183 |
| Homo sapiens | HeLa | IC50 | None | None | 10.1021/acs.jnatprod.9b00183 |
| Homo sapiens | HepG2 | IC50 | None | None | 10.1021/acs.jnatprod.9b00183 |
| Homo sapiens | MCF7 | IC50 | None | None | 10.1021/acs.jnatprod.9b00183 |
| Homo sapiens | NCM460 | IC50 | None | None | 10.1021/acs.jnatprod.9b00183 |