7-desmethylscorpinone
AlkaPlorer ID: AK145203
Synonym: None
IUPAC Name: 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione
Structure
SMILES: COC1=CC(O)=CC2=C1C(=O)C1=CN=C(C)C=C1C2=O
InChI: InChI=1S/C15H11NO4/c1-7-3-9-11(6-16-7)15(19)13-10(14(9)18)4-8(17)5-12(13)20-2/h3-6,17H,1-2H3
InChIKey: TZNGZPSBZUFCQP-UHFFFAOYSA-N
Reference
Cytotoxic Naphthoquinone and Azaanthraquinone Derivatives from an Endophytic <i>Fusarium solani</i>
PubChem CID: 132967558
LOTUS: LTS0182818
COCONUT: CNP0327864
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fusarium solani | Fusarium | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 269.256
TPSA？: 76.49000000000001
MolLogP？: 1.87962
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 960.0 | nM | 10.1021/acs.jnatprod.6b00610 |
| Homo sapiens | MDA-MB-231 | IC50 | 1510.0 | nM | 10.1021/acs.jnatprod.6b00610 |
| Homo sapiens | MIA PaCa-2 | IC50 | 980.0 | nM | 10.1021/acs.jnatprod.6b00610 |
| Homo sapiens | NCI-H1975 | IC50 | 610.0 | nM | 10.1021/acs.jnatprod.6b00610 |
| Homo sapiens | WI-38 | IC50 | 5840.0 | nM | 10.1021/acs.jnatprod.6b00610 |