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CHEBI:194152 - aristolochic acid D

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:
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
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.
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.
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