Summary

IMPPAT Phytochemical identifier: IMPHY009807

Phytochemical name: Naringenin 5-O-neohesperidoside

Synonymous chemical names:
naringenin-5-o-neohesperidoside

External chemical identifiers:
CID:42607904

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Chemical structure information

SMILES:
OCC1OC(Oc2cc(O)cc3c2C(=O)CC(O3)c2ccc(cc2)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O

InChI:
InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)39-17-7-13(30)6-16-19(17)14(31)8-15(38-16)11-2-4-12(29)5-3-11/h2-7,10,15,18,20-30,32-36H,8-9H2,1H3

InChIKey:
MWQGOZLFAPRRTD-UHFFFAOYSA-N

DeepSMILES:
OCCOCOcccO)ccc6C=O)CCO6)cccccc6))O)))))))))))))))CCC6O))O))OCOCC)CCC6O))O))O

Functional groups:
CO, COC(C)OC, cC(C)=O, cO, cOC, cOC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2cccc(OC3OCCCC3OC3CCCCO3)c21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCC(OC3OCCCC3OC3CCCCO3)C12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCC(CC3CCCCC3CC3CCCCC3)C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 2.309

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Chemical structure download