The Drug Ontology

Last uploaded: March 3, 2024
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Preferred Name

tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate
Synonyms

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

dl-Hyoscyamine
Definitions

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.
ID

http://purl.obolibrary.org/obo/CHEBI_78734
charge

0
database_cross_reference

KNApSAcK:C00002277

KEGG:D00113

KEGG:C01479

CAS:51-55-8
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.
formula

C17H23NO3
has functional parent

http://purl.obolibrary.org/obo/CHEBI_30765

http://purl.obolibrary.org/obo/CHEBI_15884
has role

http://purl.obolibrary.org/obo/CHEBI_76924
has_exact_synonym

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

chebi_ontology
has_related_synonym

dl-Hyoscyamine
id

CHEBI:78734
in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR
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
is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_57858
label

tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate
mass

289.36940
monoisotopicmass

289.16779
notation

CHEBI:78734
prefLabel

tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate
smiles

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

http://purl.obolibrary.org/obo/CHEBI_37332

http://purl.obolibrary.org/obo/CHEBI_36243
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