Summary
SMILES: OCC(C1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2)(Cl)CInChI: InChI=1S/C19H18ClNO4/c1-19(20,9-22)15-7-11-14(25-15)8-13(23)16-17(11)21(2)12-6-4-3-5-10(12)18(16)24/h3-6,8,15,22-23H,7,9H2,1-2H3InChIKey: NJSSDVNYKRNTDP-UHFFFAOYSA-N
DeepSMILES: OCCCOccC5)cccc6)O))c=O)ccn6C))cccc6)))))))))))))Cl)C
Scaffold Graph/Node/Bond level: O=c1c2ccccc2[nH]c2c3c(ccc12)OCC3
Scaffold Graph/Node level: OC1C2CCCCC2NC2C3CCOC3CCC12
Scaffold Graph level: CC1C2CCCCC2CC2C3CCCC3CCC12
Functional groups: CCl; CO; 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:gravacridone chlorine, gravacridone-chlorine
External chemical identifiers:CID:5315835
Chemical structure download