Summary
SMILES: CC(=CCc1c(O)c2-c3oc4cc(O)cc(c4c(=O)c3CC3c2c(c1O)OC3(C)C)O)CInChI: InChI=1S/C25H24O7/c1-10(2)5-6-12-20(28)19-17-14(25(3,4)32-24(17)22(12)30)9-13-21(29)18-15(27)7-11(26)8-16(18)31-23(13)19/h5,7-8,14,26-28,30H,6,9H2,1-4H3InChIKey: WQIPFMCXBWXUAV-UHFFFAOYSA-N
DeepSMILES: CC=CCccO)c-cocccO)ccc6c=O)c%10CCc%14cc%18O))OC5C)C))))))))))O)))))))))))))C
Scaffold Graph/Node/Bond level: O=c1c2c(oc3ccccc13)-c1cccc3c1C(CO3)C2
Scaffold Graph/Node level: OC1C2CCCCC2OC2C1CC1COC3CCCC2C13
Scaffold Graph level: CC1C2CCCCC2CC2C1CC1CCC3CCCC2C31
Functional groups: CC=C(C)C; c=O; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Benzopyrans
ClassyFire Subclass: 1-benzopyrans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavones
Synonymous chemical names:artonin j
External chemical identifiers:CID:44258663; ChEMBL:CHEMBL4165611; ChEBI:169875
Chemical structure download