Asperversiamide K
AlkaPlorer ID: AK121924
Synonym: None
IUPAC Name: (1R,13S,16S,22S)-1-hydroxy-7,7-dimethyl-13-(2-methylbut-3-en-2-yl)-8-oxa-12,14,20-triazahexacyclo[11.10.0.02,11.04,9.014,22.016,20]tricosa-2(11),3,5,9-tetraene-15,21-dione
Structure
SMILES: C=CC(C)(C)[C@@]12NC3=C(C=C4C=CC(C)(C)OC4=C3)[C@]1(O)C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12
InChI: InChI=1S/C26H31N3O4/c1-6-23(2,3)26-25(32,14-19-21(30)28-11-7-8-18(28)22(31)29(19)26)16-12-15-9-10-24(4,5)33-20(15)13-17(16)27-26/h6,9-10,12-13,18-19,27,32H,1,7-8,11,14H2,2-5H3/t18-,19-,25+,26-/m0/s1
InChIKey: WEXJWWWGKFNWHW-CBJYTOFKSA-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: 449.5510000000003
TPSA？: 82.11
MolLogP？: 2.9979000000000013
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
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 |