Summary
SMILES: CC1(C)C=Cc2c(O1)cc1c(c2)ccc(=O)o1InChI: InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3InChIKey: QOTBQNVNUBKJMS-UHFFFAOYSA-N
DeepSMILES: CCC)C=CccO6)cccc6)ccc=O)o6
Scaffold Graph/Node/Bond level: O=c1ccc2cc3c(cc2o1)OCC=C3
Scaffold Graph/Node level: OC1CCC2CC3CCCOC3CC2O1
Scaffold Graph level: CC1CCC2CC3CCCCC3CC2C1
Functional groups: c=O; cC=CC; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Coumarins and derivatives
ClassyFire Subclass: Pyranocoumarins
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Coumarins
NP Classifier Class: Pyranocoumarins|Simple coumarins
Synonymous chemical names:2,2-dimethylchromeno coumarin (xanthyletin), xanthyletin, xanthyletine
External chemical identifiers:CID:65188; ChEMBL:CHEMBL303846; ChEBI:10073; ZINC:ZINC000000338304; FDASRS:3N789LD38N; SureChEMBL:SCHEMBL2120500; MolPort-000-882-084
Chemical structure download