Summary

IMPPAT Phytochemical identifier: IMPHY002383

Phytochemical name: Laxanthone III

Synonymous chemical names:
laxanthone iii

Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc1c(c2=O)cc(c(c1)OC(=O)C)OC

InChI:
InChI=1S/C17H14O7/c1-8(18)23-14-7-12-10(6-13(14)22-3)17(20)16-11(19)4-9(21-2)5-15(16)24-12/h4-7,19H,1-3H3

InChIKey:
PLYMOHQSBQHXTR-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O))cccc6)OC=O)C))))OC

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: 1.073

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Chemical structure download