tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734)

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ChEBI Name	tropan-3α-yl 3-hydroxy-2-phenylpropanoate

ChEBI ID	CHEBI:78734

ChEBI ASCII Name	tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate

Definition	A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C17H23NO3

Net Charge

Average Mass

289.36940

Monoisotopic Mass

289.16779

InChI

InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?

InChIKey

RKUNBYITZUJHSG-SPUOUPEWSA-N

SMILES

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) has functional parent tropic acid (CHEBI:30765) tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) has functional parent tropine (CHEBI:15884) tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) has role plant metabolite (CHEBI:76924) tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) is a propanoate ester (CHEBI:36243) tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) is a tropane alkaloid (CHEBI:37332) tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) is conjugate base of atropinium (CHEBI:57858)

Incoming	(R)-atropine (CHEBI:48882) is a tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) (S)-atropine (CHEBI:17486) is a tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) atropinium (CHEBI:57858) is conjugate acid of tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734)

IUPAC Name

(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate

Synonym	Source
dl-Hyoscyamine	KEGG COMPOUND

Registry Number	Type	Source
51-55-8	CAS Registry Number	KEGG COMPOUND

Last Modified

28 July 2014