Summary

IMPPAT Phytochemical identifier: IMPHY001419

Phytochemical name: Cedrinoside

Synonymous chemical names:
cedrinoside

Chemical structure information

SMILES:
OCC1OC(Oc2cc(cc(c2O)O)C2Oc3cc(O)c(c(c3C(=O)C2O)O)C)C(C(C1O)O)O

InChI:
InChI=1S/C22H24O13/c1-6-8(24)4-10-13(14(6)26)17(29)19(31)21(33-10)7-2-9(25)15(27)11(3-7)34-22-20(32)18(30)16(28)12(5-23)35-22/h2-4,12,16,18-28,30-32H,5H2,1H3

InChIKey:
AWYLNDFFTMTJHQ-UHFFFAOYSA-N

DeepSMILES:
OCCOCOcccccc6O))O)))COcccO)ccc6C=O)C%10O))))O))C)))))))))))CCC6O))O))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2cccc(OC3CCCCO3)c2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCC(OC3CCCCO3)C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC(CC3CCCCC3)C2)CC2CCCCC12

---

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: Dihydroflavonols

NP-Likeness score: 2.61

---

Chemical structure download