Summary
SMILES: Oc1ccc2c(c1O)oc1c(c2=O)c(O)cc2c1C(Oc1cc(O)c3c(c1O)oc1c(c3=O)ccc3c1C=CC(O3)(C)C)C(O2)C(O)(C)CInChI: InChI=1S/C36H28O13/c1-35(2)10-9-13-19(49-35)8-6-14-25(40)23-18(39)12-21(28(43)32(23)47-29(13)14)45-33-24-20(46-34(33)36(3,4)44)11-17(38)22-26(41)15-5-7-16(37)27(42)30(15)48-31(22)24/h5-12,33-34,37-39,42-44H,1-4H3InChIKey: GGDORDIKYIGLIO-UHFFFAOYSA-N
DeepSMILES: Occcccc6O))occc6=O))cO)ccc6COcccO)ccc6O))occc6=O))cccc6C=CCO6)C)C)))))))))))))))))CO5)CO)C)C
Scaffold Graph/Node/Bond level: O=c1c2ccc(OC3COc4ccc5c(=O)c6ccccc6oc5c43)cc2oc2c3c(ccc12)OCC=C3
Scaffold Graph/Node level: OC1C2CCC(OC3COC4CCC5C(O)C6CCCCC6OC5C43)CC2OC2C3CCCOC3CCC12
Scaffold Graph level: CC1C2CCC(CC3CCC4CCC5C(C)C6CCCCC6CC5C43)CC2CC2C3CCCCC3CCC12
Functional groups: CO; c=O; cC=CC; 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: Xanthones
NP Classifier Class: Plant xanthones
Synonymous chemical names:bijaponicaxanthone
External chemical identifiers:CID:5315432
Chemical structure download