Summary
SMILES: COc1c(O)ccc2c1n(C)c1c(c2=O)c(O)cc2c1C=CC(O2)(C)CInChI: InChI=1S/C20H19NO5/c1-20(2)8-7-10-14(26-20)9-13(23)15-16(10)21(3)17-11(18(15)24)5-6-12(22)19(17)25-4/h5-9,22-23H,1-4H3InChIKey: DIDVBISMWJGFOF-UHFFFAOYSA-N
DeepSMILES: COccO)cccc6nC)ccc6=O))cO)ccc6C=CCO6)C)C
Scaffold Graph/Node/Bond level: O=c1c2ccccc2[nH]c2c3c(ccc12)OCC=C3
Scaffold Graph/Node level: OC1C2CCCCC2NC2C3CCCOC3CCC12
Scaffold Graph level: CC1C2CCCCC2CC2C3CCCCC3CCC12
Functional groups: c=O; cC=CC; cO; 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:citracridone i
External chemical identifiers:CID:5487591; ChEMBL:CHEMBL451706; ChEBI:174755
Chemical structure download