Summary

IMPPAT Phytochemical identifier: IMPHY009906

Phytochemical name: Decaffeoyl-acteoside

Synonymous chemical names:
decaffeoyl acteoside

External chemical identifiers:
CID:13889681

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Chemical structure information

SMILES:
OCC1OC(OCCc2ccc(c(c2)O)O)C(C(C1O)OC1OC(C)C(C(C1O)O)O)O

InChI:
InChI=1S/C20H30O12/c1-8-13(24)15(26)16(27)20(30-8)32-18-14(25)12(7-21)31-19(17(18)28)29-5-4-9-2-3-10(22)11(23)6-9/h2-3,6,8,12-28H,4-5,7H2,1H3

InChIKey:
DORPKYRPJIIARM-UHFFFAOYSA-N

DeepSMILES:
OCCOCOCCcccccc6)O))O))))))))CCC6O))OCOCC)CCC6O))O))O)))))))O

Functional groups:
CO, COC(C)OC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCOC2CC(OC3CCCCO3)CCO2)cc1

Scaffold Graph/Node level:
C1CCC(CCOC2CC(OC3CCCCO3)CCO2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCC(CC3CCCCC3)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylethanoids (C6-C2)

NP Classifier Class: Phenylethanoids

NP-Likeness score: 2.135

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Chemical structure download