Summary
SMILES: COc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c([nH]2)cccc1InChI: InChI=1S/C19H17NO3/c1-19(2)9-8-12-14(23-19)10-15(22-3)16-17(12)20-13-7-5-4-6-11(13)18(16)21/h4-10H,1-3H3,(H,20,21)InChIKey: NEYQKEUFRBPEJP-UHFFFAOYSA-N
DeepSMILES: COcccOCC)C)C=Cc6cc%10c=O)cc[nH]6)cccc6
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; cOC; c[nH]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:de-n-methyl-acronycine, de-n-methylacronycine, des-n-methylacronycine
External chemical identifiers:CID:6325047; ChEMBL:CHEMBL454827; ZINC:ZINC000013307709
Chemical structure download