Preferred Name

scopolamine

Synonyms

(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate

Scopolamine

scopolamine

alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester

(-)-scopolamine

(1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate

Hyoscine

(-)-hyoscine

6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate

Transderm-Scop

6,7-Epoxytropine tropate

(-)-Hyoscine

scopine (-)-tropate

Definitions

A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol.

ID

http://purl.obolibrary.org/obo/CHEBI_16794

charge

0

database_cross_reference

DrugBank:DB00747

Reaxys:91904

HMDB:HMDB0003573

PMID:11718188

Wikipedia:Scopolamine

MetaCyc:SCOPOLAMINE

KEGG:D00138

KNApSAcK:C00002292

KEGG:C01851

CAS:51-34-3

PMID:23334071

definition

A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol.

formula

C17H21NO4

has exact synonym

(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate

Scopolamine

scopolamine

has functional parent

http://purl.obolibrary.org/obo/CHEBI_30766

has role

http://purl.obolibrary.org/obo/CHEBI_50513

http://purl.obolibrary.org/obo/CHEBI_53784

http://purl.obolibrary.org/obo/CHEBI_48876

http://purl.obolibrary.org/obo/CHEBI_50919

http://purl.obolibrary.org/obo/CHEBI_60807

http://purl.obolibrary.org/obo/CHEBI_35469

has_alternative_id

CHEBI:15066

CHEBI:26610

CHEBI:9056

has_obo_namespace

chebi_ontology

has_related_synonym

alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester

(-)-scopolamine

(1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate

Hyoscine

(-)-hyoscine

6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate

Transderm-Scop

6,7-Epoxytropine tropate

(-)-Hyoscine

scopine (-)-tropate

id

CHEBI:16794

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1

inchikey

STECJAGHUSJQJN-FWXGHANASA-N

is conjugate base of

http://purl.obolibrary.org/obo/CHEBI_61269

label

scopolamine

mass

303.35290

monoisotopicmass

303.14706

notation

CHEBI:16794

prefLabel

scopolamine

smiles

CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1

subClassOf

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

http://purl.obolibrary.org/obo/CHEBI_32955

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

http://purl.obolibrary.org/obo/CHEBI_50996

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_16794 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16794 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16794 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16794 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16794 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16794 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16794 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16794 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_16794 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_16794 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_16794 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_16794 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_16794 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_16794 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_16794 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_16794 GO-PLUS LOOM
http://purl.bioontology.org/ontology/NDDF/003458 NDDF LOOM
http://purl.bioontology.org/ontology/VANDF/4018401 VANDF LOOM
http://purl.bioontology.org/ontology/LNC/LP15008-3 LOINC LOOM
https://go.drugbank.com/drugs/DB00747 MDM LOOM
http://purl.bioontology.org/ontology/ATC/A04AD01 ATC LOOM
http://purl.bioontology.org/ontology/SNMI/C-67840 SNMI LOOM
http://purl.bioontology.org/ontology/CSP/3002-3877 CRISP LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0036442 OCHV LOOM
http://doe-generated-ontology.com/OntoAD#C0036442 ONTOAD LOOM
http://purl.jp/bio/4/id/200906035318589113 IOBC LOOM
http://stirdf.jst.go.jp/id/200907031898347101 IOBC LOOM
http://www.drugbank.ca/drugs/DB00747 FTC LOOM
http://purl.bioontology.org/ontology/ATC/N05CM05 ATC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000146728 NDFRT LOOM
http://ontology.apa.org/apaonto/termsonlyOUT%20(5).owl#Scopolamine APAONTO LOOM
http://purl.bioontology.org/ontology/ATC/S01FA02 ATC LOOM
http://purl.obolibrary.org/obo/NCIT_C47712 BERO LOOM
http://www.limics.fr/ontologies/ontoparonmed#Scopoderm ONTOPARON LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#11123 OCHV LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47712 NCIT LOOM
http://purl.bioontology.org/ontology/MESH/D012601 MESH LOOM
http://purl.bioontology.org/ontology/LNC/MTHU001494 LOINC LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387409009 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/RXNORM/9601 RXNORM LOOM