Summary
IMPPAT Phytochemical identifier: IMPHY013501
Phytochemical name: Aristolochic acids
Synonymous chemical names:aristolochic acids
External chemical identifiers:CID:56841539
Chemical structure information
SMILES:
[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O.COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O.COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)OInChI:
InChI=1S/2C17H11NO7.C16H9NO6/c2*1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;18-16(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/h2*2-6H,7H2,1H3,(H,19,20);1-6H,7H2,(H,18,19)InChIKey:
FGGYSLIDOXIJNP-UHFFFAOYSA-NDeepSMILES:
[O-][N+]=O)cccccccc6cc%10cccc6OCO5))))))C=O)O.COcccccc6cc[N+]=O)[O-]))cc6cOCOc5cc9C=O)O.COcccccc6cc[N+]=O)[O-]))cc6cOCOc5cc9C=O)OFunctional groups:
c1cOCO1, cC(=O)O, cOC, c[N+](=O)[O-]
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: BenzenoidsClassyFire Class: Phenanthrenes and derivatives
ClassyFire Subclass: Aristolochic acids and derivatives
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Aporphine alkaloids
NP-Likeness score: 0.213
Chemical structure download
