Summary

IMPPAT Phytochemical identifier: IMPHY008324

Phytochemical name: Flemichapparin C

Synonymous chemical names:
flemichapparin c, flemichapparin-c

External chemical identifiers:
CID:11088179, SureChEMBL:SCHEMBL13692853

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Chemical structure information

SMILES:
COc1ccc2c(c1)oc(=O)c1c2oc2c1cc1c(c2)OCO1

InChI:
InChI=1S/C17H10O6/c1-19-8-2-3-9-11(4-8)23-17(18)15-10-5-13-14(21-7-20-13)6-12(10)22-16(9)15/h2-6H,7H2,1H3

InChIKey:
ZIZYKBRERUNPAU-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)oc=O)cc6occ5cccc6)OCO5

Functional groups:
c1cOCO1, c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2ccccc2c2oc3cc4c(cc3c12)OCO4

Scaffold Graph/Node level:
OC1OC2CCCCC2C2OC3CC4OCOC4CC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CC3CC4CCCC4CC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Coumestans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Coumestan

NP-Likeness score: 0.805

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Chemical structure download