Summary
SMILES: OCC(C1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2)(CO)OInChI: InChI=1S/C19H19NO6/c1-20-12-5-3-2-4-10(12)18(24)16-13(23)7-14-11(17(16)20)6-15(26-14)19(25,8-21)9-22/h2-5,7,15,21-23,25H,6,8-9H2,1H3InChIKey: GJDBWKOONRHBIM-UHFFFAOYSA-N
DeepSMILES: OCCCOccC5)cccc6)O))c=O)ccn6C))cccc6)))))))))))))CO))O
Scaffold Graph/Node/Bond level: O=c1c2ccccc2[nH]c2c3c(ccc12)OCC3
Scaffold Graph/Node level: OC1C2CCCCC2NC2C3CCOC3CCC12
Scaffold Graph level: CC1C2CCCCC2CC2C3CCCC3CCC12
Functional groups: 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:gravacridonetriol, gravacridontriol
External chemical identifiers:CID:21586648; ChEMBL:CHEMBL556882; ChEBI:169444
Chemical structure download