3,4,6-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 3,4-Methylene, 6-Me ether
AlkaPlorer ID: AK316589
Synonym: 10-Methoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 6-Methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid, Aristolochic acid III
IUPAC Name: 10-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Structure
SMILES: COC1=CC=C2C=C([N+](=O)[O-])C3=C(C(=O)O)C=C4OCOC4=C3C2=C1
InChI: InChI=1S/C17H11NO7/c1-23-9-3-2-8-4-12(18(21)22)14-11(17(19)20)6-13-16(25-7-24-13)15(14)10(8)5-9/h2-6H,7H2,1H3,(H,19,20)
InChIKey: MYVJZUBEKPWUFP-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 341.27500000000015
TPSA？: 108.13
MolLogP？: 3.336700000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 2 | Activity | nan | None | 10.1016/j.bmcl.2010.01.007 |
| Homo sapiens | Cyclin-dependent kinase 2 | IC50 | 20000.0 | nM | 10.1016/j.bmcl.2010.01.007 |