3'-demethylamino-3'-oxostaurosporine
AlkaPlorer ID: AK005263
Synonym: None
IUPAC Name: (2S,3S,6R)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-4,16-dione
Structure
SMILES: CO[C@@H]1C(=O)C[C@H]2O[C@]1(C)N1C3=CC=CC=C3C3=C4CN=C(O)C4=C4C5=CC=CC=C5N2C4=C31
InChI: InChI=1S/C27H21N3O4/c1-27-25(33-2)18(31)11-19(34-27)29-16-9-5-3-7-13(16)21-22-15(12-28-26(22)32)20-14-8-4-6-10-17(14)30(27)24(20)23(21)29/h3-10,19,25H,11-12H2,1-2H3,(H,28,32)/t19-,25-,27+/m1/s1
InChIKey: CQEYKSOPHNOEBZ-JRLVAEJTSA-N
Reference
Further Minor Metabolites of Staurosporine Produced by a Streptomyces longisporofiavus Strain.
PubChem CID: 10766010
LOTUS: LTS0032726
SuperNatural Ⅲ: SN0052647-02
{NPAtlas: NPA010828
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces longisporoflavus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 451.48200000000026
TPSA？: 77.97999999999999
MolLogP？: 4.909900000000004
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Protein kinase C theta | IC50 | 2500.0 | nM | 10.1021/acs.jmedchem.0c01271 |
| Homo sapiens | Protein kinase C theta | Inhibition | 50.0 | % | 10.1021/acs.jmedchem.0c01271 |