Asperpyridone A
AlkaPlorer ID: AK123163
Synonym: 'Asperpyridone A'
IUPAC Name: (6S,6aR,8R,10S,10aR)-2-methoxy-6,8,10-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-isochromeno[4,3-c]pyridin-1-one
Structure
SMILES: CON1C=CC2=C(C1=O)[C@H]1[C@@H](C[C@H](C)C[C@@H]1C)[C@H](C)O2
InChI: InChI=1S/C16H23NO3/c1-9-7-10(2)14-12(8-9)11(3)20-13-5-6-17(19-4)16(18)15(13)14/h5-6,9-12,14H,7-8H2,1-4H3/t9-,10+,11+,12+,14-/m1/s1
InChIKey: NIMOIRGMTUCKDU-DKKFBCOVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Trichocomaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 277.36400000000003
TPSA？: 40.46
MolLogP？: 2.4534
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ASPC1 | Activity | nan | None | 10.1021/acs.jnatprod.9b00188 |
| Homo sapiens | BXPC-3 | Activity | nan | None | 10.1021/acs.jnatprod.9b00188 |
| Homo sapiens | HepG2 | Activity | 45.1 | % | 10.1021/acs.jnatprod.9b00188 |
| Homo sapiens | HepG2 | Activity | 46.9 | % | 10.1021/acs.jnatprod.9b00188 |
| Homo sapiens | HepG2 | Activity | 47.5 | % | 10.1021/acs.jnatprod.9b00188 |
| Homo sapiens | HepG2 | Activity | 53.6 | % | 10.1021/acs.jnatprod.9b00188 |
| Homo sapiens | HepG2 | Activity | nan | None | 10.1021/acs.jnatprod.9b00188 |
| Mus musculus | CT26 | Activity | nan | None | 10.1021/acs.jnatprod.9b00188 |
| Mus musculus | Panc02 | Activity | nan | None | 10.1021/acs.jnatprod.9b00188 |