Summary

IMPPAT Phytochemical identifier: IMPHY009047

Phytochemical name: Oleuropeic acid

Synonymous chemical names:
oleuropeic acid

External chemical identifiers:
CID:188320, ZINC:ZINC000006031949, MolPort-035-706-111

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Chemical structure information

SMILES:
OC(=O)C1=CC[C@H](CC1)C(O)(C)C

InChI:
InChI=1S/C10H16O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h3,8,13H,4-6H2,1-2H3,(H,11,12)/t8-/m1/s1

InChIKey:
BFYWJELXORKNFO-MRVPVSSYSA-N

DeepSMILES:
OC=O)C=CC[C@H]CC6))CO)C)C

Functional groups:
CC=C(C)C(=O)O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 2.057

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Chemical structure download