Summary

IMPPAT Phytochemical identifier: IMPHY012954

Phytochemical name: Licuroside

Synonymous chemical names:
licuraside, licuroside

External chemical identifiers:
CID:6475724

---

Chemical structure information

SMILES:
OCC1OC(Oc2ccc(cc2)/C=C/C(=O)c2ccc(cc2O)O)C(C(C1O)O)OC1OCC(C1O)(O)CO

InChI:
InChI=1S/C26H30O13/c27-10-19-20(32)21(33)22(39-25-23(34)26(35,11-28)12-36-25)24(38-19)37-15-5-1-13(2-6-15)3-8-17(30)16-7-4-14(29)9-18(16)31/h1-9,19-25,27-29,31-35H,10-12H2/b8-3+

InChIKey:
VMMVZVPAYFZNBM-FPYGCLRLSA-N

DeepSMILES:
OCCOCOcccccc6))/C=C/C=O)cccccc6O)))O)))))))))))))CCC6O))O))OCOCCC5O))O)CO

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccc(OC2OCCCC2OC2CCCO2)cc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCC(OC2OCCCC2OC2CCCO2)CC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCC(CC2CCCCC2CC2CCCC2)CC1)C1CCCCC1

---

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: Chalcones

NP-Likeness score: 1.946

---

Chemical structure download