566943-74-6
AlkaPlorer ID: AK053618
Synonym: 'Speradine A', '(-)-Speradine A'
IUPAC Name: (1S,2R,3S,9R)-5-acetyl-4-hydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-4,11(18),12,14-tetraene-6,17-dione
Structure
SMILES: C/C(O)=C1\C(=O)[C@@H]2[C@H]3[C@@H]4C(=O)N(C)C5=C4C(=CC=C5)C[C@H]3C(C)(C)N2C1=O
InChI: InChI=1S/C21H22N2O4/c1-9(24)13-18(25)17-15-11(21(2,3)23(17)20(13)27)8-10-6-5-7-12-14(10)16(15)19(26)22(12)4/h5-7,11,15-17,24H,8H2,1-4H3/b13-9-/t11-,15-,16-,17+/m1/s1
InChIKey: CSDOXCPMZIXYPE-CGONMDNRSA-N
Reference
Speradine A, a new pentacyclic oxindole alkaloid from a marine-derived fungus Aspergillus tamarii
PubChem CID: 135464234
LOTUS: LTS0155270
SuperNatural Ⅲ: SN0054125-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus tamarii | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 366.41700000000014
TPSA？: 77.92
MolLogP？: 1.9392
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 8000.0 | nM | 10.1016/j.bmc.2011.06.001 |