Summary

IMPPAT Phytochemical identifier: IMPHY002327

Phytochemical name: Laxanthone II

Synonymous chemical names:
3,6-diacetoxy-1-hydroxy-7-methoxy-xanthen-9-one, laxanthone ii

Chemical structure information

SMILES:
COc1cc2c(cc1OC(=O)C)oc1c(c2=O)c(O)cc(c1)OC(=O)C

InChI:
InChI=1S/C18H14O8/c1-8(19)24-10-4-12(21)17-16(5-10)26-13-7-15(25-9(2)20)14(23-3)6-11(13)18(17)22/h4-7,21H,1-3H3

InChIKey:
RAWBNUCTHOCPPS-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC=O)C)))))occc6=O))cO)ccc6)OC=O)C

Functional groups:
c=O, cO, cOC, cOC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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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: 1.021

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Chemical structure download