Staurosporinone; 7-Methoxy, 2-hydroxy
AlkaPlorer ID: AK314293
Synonym: 2-Hydroxy-7-methoxystaurosporinone
IUPAC Name: 6-hydroxy-14-methoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-12-one
Structure
SMILES: COC1N=C(O)C2=C1C1=C(NC3=CC=CC=C31)C1=C2C2=CC=C(O)C=C2N1
InChI: InChI=1S/C21H15N3O3/c1-27-21-17-15-10-4-2-3-5-12(10)22-19(15)18-14(16(17)20(26)24-21)11-7-6-9(25)8-13(11)23-18/h2-8,21-23,25H,1H3,(H,24,26)
InChIKey: ATBXPCOFDWGOCJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Perichaena chrysosperma | Perichaena | Trichiidae | Trichiida | Eumycetozoa | Evosea | None | Eukaryota |
Properties Information
Molecule Weight: 357.3690000000001
TPSA？: 93.63
MolLogP？: 4.624400000000003
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DU-145 | IC50 | 4200.0 | nM | 10.1021/np1002687 |
| Homo sapiens | PANC-1 | IC50 | 5000.0 | nM | 10.1021/np1002687 |
| None | ADMET | IC50 | 14000.0 | nM | 10.1021/np1002687 |
| None | Molecular identity unknown | IC50 | 4600.0 | nM | 10.1021/np1002687 |