Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID002769
Phytochemical name: Xanthone
Synonymous chemical names:Xanthone, xanthones, xanthone
External chemical identifiers:CID:CID_7020, ChEMBL:CHEMBL186784, ChEBI:CHEBI:37647, ZINC:ZINC000003860823, FDASRS:9749WEV0CA, SureChEMBL:SCHEMBL41161, MolPort-001-759-220
Chemical structure information
SMILES:
O=c1c2ccccc2oc2c1cccc2InChI:
InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8HInChIKey:
JNELGWHKGNBSMD-UHFFFAOYSA-NDeepSMILES:
O=ccccccc6occ%10cccc6Functional groups:
c=O, cocLink to spectral information:
MSBNK-LCSB-LU019805, MSBNK-LCSB-LU019801, MSBNK-LCSB-LU019802, MSBNK-LCSB-LU019803, MSBNK-LCSB-LU019804, MSBNK-LCSB-LU019806
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Benzopyrans
ClassyFire Subclass: 1-benzopyrans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Xanthones
NP-Likeness score: 0.135
Chemical structure download
