Summary
SMILES: COc1c(O)cc2c3c1c1ccccc1cc3N(C(=O)C2=O)CInChI: InChI=1S/C18H13NO4/c1-19-12-7-9-5-3-4-6-10(9)15-14(12)11(16(21)18(19)22)8-13(20)17(15)23-2/h3-8,20H,1-2H3InChIKey: JGDZUWXHWYXMSD-UHFFFAOYSA-N
DeepSMILES: COccO)cccc6cccccc6cc%10NC=O)C%14=O)))C
Scaffold Graph/Node/Bond level: O=C1Nc2cc3ccccc3c3cccc(c23)C1=O
Scaffold Graph/Node level: OC1NC2CC3CCCCC3C3CCCC(C1O)C23
Scaffold Graph level: CC1CC2CC3CCCCC3C3CCCC(C1C)C23
Functional groups: cC(=O)C(=O)N(c)C; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Aporphines
ClassyFire Subclass: 4,5-dioxoaporphines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Aporphine alkaloids
Synonymous chemical names:(2-hydroxy-1-methoxy-6-metyl-4h-dibenzo(de,g)quinoline-4,5-(6h)-dione), piperadione
External chemical identifiers:CID:184116; ChEBI:174938
Chemical structure download