3,4,6,8-Tetrahydroxy-10-nitro-1-phenanthrenecarboxylic acid; 3,4-Methylene, 6,8-di-Me ether
AlkaPlorer ID: AK315586
Synonym: 8,10-Dimethoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 6,8-Dimethoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid, Aristolochic acid IV
IUPAC Name: 8,10-dimethoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Structure
SMILES: COC1=CC2=C(C=C([N+](=O)[O-])C3=C(C(=O)O)C=C4OCOC4=C32)C(OC)=C1
InChI: InChI=1S/C18H13NO8/c1-24-8-3-10-9(13(4-8)25-2)5-12(19(22)23)15-11(18(20)21)6-14-17(16(10)15)27-7-26-14/h3-6H,7H2,1-2H3,(H,20,21)
InChIKey: GYBINMVKWZEICQ-UHFFFAOYSA-N
Reference
Chemical constituents of Aristolochia manshuriensis
PubChem CID: 167493
CAS: 15918-62-4
LOTUS: LTS0087118
NPASS: NPC290227
Source
Properties Information
Molecule Weight: 371.30100000000016
TPSA？: 117.36
MolLogP？: 3.3453000000000017
Number of H-Donors: 1
Number of H-Acceptors: 7
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 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | Activity | nan | None | 10.1021/np50099a024 |