Asperversiamide I
AlkaPlorer ID: AK121916
Synonym: None
IUPAC Name: (8'aR,11R,13S,15S)-11-hydroxy-5,5-dimethyl-15-(2-methylbut-3-en-2-yl)spiro[4,14-dioxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,6,8-tetraene-13,3'-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine]-1',4'-dione
Structure
SMILES: C=CC(C)(C)[C@@]12NC3=C(C=C4C=CC(C)(C)OC4=C3)[C@]1(O)C[C@]1(N=C(O)[C@H]3CCCN3C1=O)O2
InChI: InChI=1S/C26H31N3O5/c1-6-22(2,3)26-24(32,14-25(34-26)21(31)29-11-7-8-18(29)20(30)28-25)16-12-15-9-10-23(4,5)33-19(15)13-17(16)27-26/h6,9-10,12-13,18,27,32H,1,7-8,11,14H2,2-5H3,(H,28,30)/t18-,24-,25+,26+/m1/s1
InChIKey: KQSNCKYUOHBTBD-UEEUSRRGSA-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: 465.5500000000003
TPSA？: 103.62
MolLogP？: 3.4701000000000013
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 6
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 | 7300.0 | 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 |