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CHEBI:194152 - aristolochic acid D

Default Structure
ChEBI IDCHEBI:194152
ChEBI Namearistolochic acid D
Stars
DefinitionAn aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10.
Last Modified5 December 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC17H11NO8
Net Charge0
Average Mass357.274
Monoisotopic Mass357.04847
SMILESCOc1cc(O)cc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3
InChIInChI=1S/C17H11NO8/c1-24-12-3-7(19)2-9-8(12)4-11(18(22)23)14-10(17(20)21)5-13-16(15(9)14)26-6-25-13/h2-5,19H,6H2,1H3,(H,20,21)
InChIKeyPADIFGYTAXNCRK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aristolochia (ncbitaxon:12947) - PubMed (21141875)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
nephrotoxin  A toxin that is produced by a biological organism such as a microbe, animal or plant which interferes with the function of the kidney in animals.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
nephrotoxin  A toxin that is produced by a biological organism such as a microbe, animal or plant which interferes with the function of the kidney in animals.
ChEBI Ontology
Outgoing Relation(s)
aristolochic acid D (CHEBI:194152) has role carcinogenic agent (CHEBI:50903)
aristolochic acid D (CHEBI:194152) has role metabolite (CHEBI:25212)
aristolochic acid D (CHEBI:194152) has role nephrotoxin (CHEBI:61015)
aristolochic acid D (CHEBI:194152) has role toxin (CHEBI:27026)
aristolochic acid D (CHEBI:194152) is a C-nitro compound (CHEBI:35716)
aristolochic acid D (CHEBI:194152) is a aristolochic acids (CHEBI:194147)
aristolochic acid D (CHEBI:194152) is a aromatic ether (CHEBI:35618)
aristolochic acid D (CHEBI:194152) is a cyclic acetal (CHEBI:59770)
aristolochic acid D (CHEBI:194152) is a monocarboxylic acid (CHEBI:25384)
aristolochic acid D (CHEBI:194152) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
10-hydroxy-8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
Synonyms  Source
10-hydroxy-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acidIUPAC
AADChEBI
Citations