Summary
SMILES: Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1InChI: InChI=1S/C19H17NO4/c1-19(9-23-19)15-7-11-14(24-15)8-13(21)16-17(11)20(2)12-6-4-3-5-10(12)18(16)22/h3-6,8,15,21H,7,9H2,1-2H3InChIKey: YXQGLAPCZDYVLL-UHFFFAOYSA-N
DeepSMILES: OcccOCCc5cc9c=O)ccn6C))cccc6)))))))))))CC)CO3
Scaffold Graph/Node/Bond level: O=c1c2ccccc2[nH]c2c3c(ccc12)OC(C1CO1)C3
Scaffold Graph/Node level: OC1C2CCCCC2NC2C3CC(C4CO4)OC3CCC12
Scaffold Graph level: CC1C2CCCCC2CC2C3CC(C4CC4)CC3CCC12
Functional groups: CC1(C)CO1; c=O; 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:rutacridone epoxide
External chemical identifiers:CID:5281850; ChEMBL:CHEMBL1968498; ChEBI:8918
Chemical structure download