Summary

IMPPAT Phytochemical identifier: IMPHY014293

Phytochemical name: 2H,10H-[1,3]Dioxolo[4,5-B]xanthen-10-one

Synonymous chemical names:
2,3-methylenedioxy-xanthone, 2,3-methylenedioxyxanthone, 2,3-methylenedioxyxanthones

External chemical identifiers:
CID:14189052, SureChEMBL:SCHEMBL12608762

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Chemical structure information

SMILES:
O=c1c2cc3OCOc3cc2oc2c1cccc2

InChI:
InChI=1S/C14H8O4/c15-14-8-3-1-2-4-10(8)18-11-6-13-12(5-9(11)14)16-7-17-13/h1-6H,7H2

InChIKey:
FOINFNBKTYKBJH-UHFFFAOYSA-N

DeepSMILES:
O=ccccOCOc5cc9occ%13cccc6

Functional groups:
c1cOCO1, c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2cc3c(cc12)OCO3

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CC3OCOC3CC21

Scaffold Graph level:
CC1C2CCCCC2CC2CC3CCCC3CC21

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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: 0.459

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Chemical structure download