1.0 2026-09-21 17:40:43 UTC 2026-09-21 17:40:43 UTC FDB116826 Aristolochic acid 8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid C17H11NO7 341.2717 341.053551711 6-methoxy-9-nitro-14,16-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1,3,5,7,9,11,13(17)-heptaene-11-carboxylic acid birthwort COC1=CC=CC2=C3C4=C(OCO4)C=C(C(O)=O)C3=C(C=C12)N(=O)=O InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20) BBFQZRXNYIEMAW-UHFFFAOYSA-N belongs to the class of organic compounds known as aristolochic acids and derivatives. These are organic heterocyclic compounds with a structure characterized by a nitrophenanthro[3,4-d][1,3]dioxole ring system substituted at position 5, 6, and 8 by a carboxyl group (or a derivative thereof), a nitro group, and a methoxy group, respectively. Aristolochic acids and derivatives Organic compounds Benzenoids Phenanthrenes and derivatives Aristolochic acids and derivatives Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Anisoles Benzodioxoles Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthalenecarboxylic acids Nitroaromatic compounds Nitronaphthalenes Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds 1-naphthalenecarboxylic acid 1-naphthalenecarboxylic acid or derivatives 1-nitronaphthalene 2-nitronaphthalene Acetal Alkyl aryl ether Allyl-type 1,3-dipolar organic compound Anisole Aristolochic acid or derivatives Aromatic heteropolycyclic compound Benzodioxole C-nitro compound Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Naphthalene Nitroaromatic compound Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Propargyl-type 1,3-dipolar organic compound C-nitro compound Isoquinoline alkaloids cyclic acetal monocarboxylic acid phenanthrenes logp 2.69 ALOGPS logs -4.13 ALOGPS solubility 2.54e-02 g/l ALOGPS logp 3.02 ChemAxon pka_strongest_acidic 3.32 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 6-methoxy-9-nitro-14,16-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]heptadeca-1,3,5,7,9,11,13(17)-heptaene-11-carboxylic acid ChemAxon average_mass 341.2717 ChemAxon mono_mass 341.053551711 ChemAxon smiles COC1=CC=CC2=C3C4=C(OCO4)C=C(C(O)=O)C3=C(C=C12)N(=O)=O ChemAxon formula C17H11NO7 ChemAxon inchi InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20) ChemAxon inchikey BBFQZRXNYIEMAW-UHFFFAOYSA-N ChemAxon polar_surface_area 110.81 ChemAxon refractivity 85.77 ChemAxon polarizability 32.27 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 79203 Specdb::MsMs 79204 Specdb::MsMs 79205 Specdb::MsMs 139752 Specdb::MsMs 139753 Specdb::MsMs 139754 Specdb::CMs 104063 Specdb::CMs 116012 Specdb::CMs 849288 Specdb::CMs 849289