3,4,8-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 3,4-Methylene ether
AlkaPlorer ID: AK316595
Synonym: 8-Hydroxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid, Aristolochic acid Ia
IUPAC Name: 8-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Structure
SMILES: O=C(O)C1=CC2=C(OCO2)C2=C3C=CC=C(O)C3=CC([N+](=O)[O-])=C12
InChI: InChI=1S/C16H9NO7/c18-11-3-1-2-7-8(11)4-10(17(21)22)13-9(16(19)20)5-12-15(14(7)13)24-6-23-12/h1-5,18H,6H2,(H,19,20)
InChIKey: LGZIKBZSCRORQN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Battus | Papilionidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
| Aristolochia argentina | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.2480000000001
TPSA？: 119.13000000000002
MolLogP？: 3.0337000000000014
Number of H-Donors: 2
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 | 15000.0 | nM | 10.1016/j.bmcl.2010.01.007 |