Summary

IMPPAT Phytochemical identifier: IMPHY014321

Phytochemical name: Pinostrobin 5-glucoside

Synonymous chemical names:
pinostrobin-5-glucoside

External chemical identifiers:
CID:14841120, ChEBI:176103

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Chemical structure information

SMILES:
OCC1OC(Oc2cc(OC)cc3c2C(=O)CC(O3)c2ccccc2)C(C(C1O)O)O

InChI:
InChI=1S/C22H24O9/c1-28-12-7-15-18(13(24)9-14(29-15)11-5-3-2-4-6-11)16(8-12)30-22-21(27)20(26)19(25)17(10-23)31-22/h2-8,14,17,19-23,25-27H,9-10H2,1H3

InChIKey:
PKWCARAECWHBCL-UHFFFAOYSA-N

DeepSMILES:
OCCOCOcccOC))ccc6C=O)CCO6)cccccc6))))))))))))))))CCC6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2cccc(OC3CCCCO3)c21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCC(OC3CCCCO3)C12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCC(CC3CCCCC3)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: 1.862

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Chemical structure download