Summary
SMILES: OCC(=C)C1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2InChI: InChI=1S/C19H17NO4/c1-10(9-21)15-7-12-16(24-15)8-14(22)17-18(12)20(2)13-6-4-3-5-11(13)19(17)23/h3-6,8,15,21-22H,1,7,9H2,2H3InChIKey: LTIJMFZBJZDNOD-UHFFFAOYSA-N
DeepSMILES: OCC=C)COccC5)cccc6)O))c=O)ccn6C))cccc6
Scaffold Graph/Node/Bond level: O=c1c2ccccc2[nH]c2c3c(ccc12)OCC3
Scaffold Graph/Node level: OC1C2CCCCC2NC2C3CCOC3CCC12
Scaffold Graph level: CC1C2CCCCC2CC2C3CCCC3CCC12
Functional groups: C=C(C)C; 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:gravacridonol
External chemical identifiers:CID:14805775; ChEBI:174351
Chemical structure download