Summary

IMPPAT Phytochemical identifier: IMPHY005459

Phytochemical name: Swerchirin

Synonymous chemical names:
1,8-dihydroxy-3,5-dimethoxy-xanthone(swerchirin), swerchirin

External chemical identifiers:
CID:5281660, ChEBI:9368, SureChEMBL:SCHEMBL18240051

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1OC

InChI:
InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-15-10(20-2)4-3-8(16)13(15)14(12)18/h3-6,16-17H,1-2H3

InChIKey:
GNSHHHWDGOHNPC-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O))cO)ccc6OC

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, Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.382

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Chemical structure download