Summary

IMPPAT Phytochemical identifier: IMPHY004962

Phytochemical name: 8,11-Dihydroxy-3,3-dimethyl-10-[[5,9,10-trihydroxy-2-(2-hydroxypropan-2-yl)-6-oxo-1,2-dihydrofuro[2,3-c]xanthen-1-yl]oxy]pyrano[2,3-c]xanthen-7-one

Synonymous chemical names:
bijaponicaxanthone

External chemical identifiers:
CID:5315432

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Chemical structure information

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)C

InChI:
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,1-4H3

InChIKey:
GGDORDIKYIGLIO-UHFFFAOYSA-N

DeepSMILES:
Occcccc6O))occc6=O))cO)ccc6COcccO)ccc6O))occc6=O))cccc6C=CCO6)C)C)))))))))))))))))CO5)CO)C)C

Functional groups:
CO, c=O, cC=CC, cO, cOC, coc

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Molecular scaffolds

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.17

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Chemical structure download