3,4-Methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid
AlkaPlorer ID: AK306044
Synonym: 6-Nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, Aristolochic acid II, Aristolochic acid B, Noraristolochic acid
IUPAC Name: 6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Structure
SMILES: O=C(O)C1=CC2=C(OCO2)C2=C3C=CC=CC3=CC([N+](=O)[O-])=C12
InChI: InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
InChIKey: MEEXETVZNQYRSP-UHFFFAOYSA-N
Reference
Analysis of products suspected of containing Aristolochia or Asarum species
PubChem CID: 108168
CAS: 475-80-9
LOTUS: LTS0191614
SuperNatural Ⅲ: SN0223201
NPASS: NPC46679
Source
Properties Information
Molecule Weight: 311.2490000000001
TPSA？: 98.9
MolLogP？: 3.328100000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
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 |