8-O-methylsclerotiorinamine
AlkaPlorer ID: AK035545
Synonym: '8-O-methylsclerotiorinamine'
IUPAC Name: [(7R)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8-methoxy-7-methyl-6-oxoisoquinolin-7-yl] acetate
Structure
SMILES: CCC(C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(OC)=C2C=N1
InChI: InChI=1S/C22H26ClNO4/c1-7-13(2)10-14(3)8-9-16-11-17-18(12-24-16)21(27-6)22(5,28-15(4)25)20(26)19(17)23/h8-13H,7H2,1-6H3/b9-8+,14-10+/t13?,22-/m0/s1
InChIKey: XEYGOCHZSYIFRN-BEFCGSBYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium multicolor | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 403.9060000000002
TPSA？: 65.49000000000001
MolLogP？: 3.093300000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Growth factor receptor-bound protein 2 | IC50 | 5300.0 | nM | 10.1021/np0001169 |
| Mus musculus | Growth factor receptor-bound protein 2 | Activity | 50.0 | % | 10.1021/np0001169 |
| None | ADMET | GI50 | 50000.0 | nM | 10.1021/np0001169 |