Summary

SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@H](C)CC3)O)C=O)[C@@H]([C@H]([C@@H]1O)O)O
InChI: InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1
InChIKey: QCCRICPXIMDIGF-FHZCTKOVSA-N
DeepSMILES: OC[C@H]O[C@@H]O[C@@H]OC=C[C@@][C@H]6[C@H]C)CC5))))O))C=O)))))))[C@@H][C@H][C@@H]6O))O))O
Scaffold Graph/Node/Bond level: C1=CC2CCCC2C(OC2CCCCO2)O1
Scaffold Graph/Node level: C1CCC(OC2OCCC3CCCC32)OC1
Scaffold Graph level: C1CCC(CC2CCCC3CCCC32)CC1
Functional groups: CO; CO[C@@H](O[C@H]1CCC(C=O)=CO1)C

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Prenol lipids
ClassyFire Subclass: Terpene glycosides
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Monoterpenoids
NP Classifier Class: Iridoids monoterpenoids

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Synonymous chemical names:
plantarenaloside, plantarenaloside (iridoid glucoside), Plantarenaloside

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External chemical identifiers:
CID:CID_155882; ChEMBL:CHEMBL3622814; ZINC:ZINC000006031158; FDASRS:4N6D873D7C; MolPort-027-806-952

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Chemical structure download