Summary

IMPPAT Phytochemical identifier: IMPHY007916

Phytochemical name: Ellipticol

Synonymous chemical names:
ellipticol

External chemical identifiers:
CID:14539318, ChEMBL:CHEMBL3093477, ZINC:ZINC000014764542

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Chemical structure information

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

InChI:
InChI=1S/C16H14O6/c1-19-8-4-10(17)14-12(6-8)22-13-7-9(20-2)5-11(21-3)15(13)16(14)18/h4-7,17H,1-3H3

InChIKey:
JBSFSRSYBUWRRZ-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O))cOC))ccc6)OC

Functional groups:
c=O, cO, cOC, 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: Polyketides

NP Classifier Superclass: Xanthones

NP Classifier Class: Methyl xanthones

NP-Likeness score: 1.067

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Chemical structure download