Summary

IMPPAT Phytochemical identifier: IMPHY001674

Phytochemical name: Icariside F2

Synonymous chemical names:
icariside-f2

External chemical identifiers:
CID:14079045, ChEMBL:CHEMBL3326712, ZINC:ZINC000031166343, MolPort-001-742-675

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Chemical structure information

SMILES:
OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](OCc2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1

InChIKey:
NJMQSVWMCODQIP-FQXXIRCGSA-N

DeepSMILES:
OC[C@@]O)CO[C@H][C@@H]5O))OC[C@H]O[C@@H]OCcccccc6))))))))[C@@H][C@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(COC2CCCC(COC3CCCO3)O2)cc1

Scaffold Graph/Node level:
C1CCC(COC2CCCC(COC3CCCO3)O2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCC(CCC3CCCC3)C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 2.075

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Chemical structure download