Summary
SMILES: COc1c2OCOc2cc2c1c(=O)c1c(n2C)cccc1InChI: InChI=1S/C16H13NO4/c1-17-10-6-4-3-5-9(10)14(18)13-11(17)7-12-15(16(13)19-2)21-8-20-12/h3-7H,8H2,1-2H3InChIKey: ULBVHYNIDQSMFC-UHFFFAOYSA-N
DeepSMILES: COccOCOc5ccc9c=O)ccn6C))cccc6
Scaffold Graph/Node/Bond level: O=c1c2ccccc2[nH]c2cc3c(cc12)OCO3
Scaffold Graph/Node level: OC1C2CCCCC2NC2CC3OCOC3CC21
Scaffold Graph level: CC1C2CCCCC2CC2CC3CCCC3CC21
Functional groups: c1cOCO1; c=O; cOC; cn(c)C
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Quinolines and derivatives
ClassyFire Subclass: Benzoquinolines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Anthranilic acid alkaloids
NP Classifier Class: Acridone alkaloids
Synonymous chemical names:evoxanthine
External chemical identifiers:CID:348484; ZINC:ZINC000005495493; MolPort-046-857-321
Chemical structure download