Molecule

3,4,8-Trihydroxy-10-nitro-1-phenanthrenecarboxylic acid; 3,4-Methylene, 8-Me ether, Me ester

AlkaPlorer ID: AK316598

Synonym: Methyl aristolochate

IUPAC Name: methyl 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate

SMILES: COC(=O)C1=CC2=C(OCO2)C2=C3C=CC=C(OC)C3=CC([N+](=O)[O-])=C12

InChI: InChI=1S/C18H13NO7/c1-23-13-5-3-4-9-10(13)6-12(19(21)22)15-11(18(20)24-2)7-14-17(16(9)15)26-8-25-14/h3-7H,8H2,1-2H3

InChIKey: RZUABJWVTLHGHJ-UHFFFAOYSA-N

PubChem CID: 96709

CAS: 1169-60-4

LOTUS: LTS0186276

SuperNatural Ⅲ: SN0339658

NPASS: NPC38961

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Couepia polyandra	Couepia	Chrysobalanaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Argentina	Argentinidae	Argentiniformes	Actinopteri	Chordata	Metazoa	Eukaryota
Aristolochia manshuriensis	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Asarum	Asaraceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aristolochia rotunda	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 355.30200000000013

TPSA？: 97.13

MolLogP？: 3.4251000000000023

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	NON-PROTEIN TARGET	IC50	10.0	ug.mL-1	10.1016/j.bmcl.2011.01.067