Summary

IMPPAT Phytochemical identifier: IMPHY008425

Phytochemical name: Loquatoside

Synonymous chemical names:
loquatoside

External chemical identifiers:
CID:156269, ChEBI:176124

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)OC(C(C2O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O

InChI:
InChI=1S/C20H22O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15-28H,6H2/t12-,15-,16?,17+,18?,19?,20-/m0/s1

InChIKey:
YISJRMFABYGQSX-NUVGQASKSA-N

DeepSMILES:
OcccO)ccc6)OCCC6O))O[C@@H]OC[C@@H][C@@H][C@H]6O))O))O)))))))cccccc6)O))O

Functional groups:
CO, CO[C@@H](C)OC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2Oc3ccccc3CC2OC2CCCCO2)cc1

Scaffold Graph/Node level:
C1CCC(C2OC3CCCCC3CC2OC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CC2CC3CCCCC3CC2C2CCCCC2)CC1

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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: Flavan-3-ols, Flavandiols (Leucoanthocyanidins)

NP-Likeness score: 2.307

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Chemical structure download