The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

cyclandelate
Synonyms

ciclandelato

C17H24O3

cyclandelate

cyclandelatum

3,5,5-trimethylcyclohexyl amygdalate

3,3,5-trimethylcyclohexyl mandelate

3,3,5-trimethylcyclohexyl 2-hydroxy-2-phenylacetate

3,3,5-trimethylcyclohexyl hydroxy(phenyl)acetate

ID

http://purl.obolibrary.org/obo/CHEBI_3988

ATCCode

C04AX01

binds

http://purl.obolibrary.org/obo/dinto_3508

http://purl.obolibrary.org/obo/dinto_0470

CASRN

456-59-7

DBBrand

spasmione

dilatan

novodil

natil

saiclate

sancyclan

perebral

capilan

sepyron

cyclolyt

arto-espasmol

clandilon

vasodyl

cyclobral

spasmocyclon

cyclospasmol

spasmocyclone

ciclospasmol

cyclergine

cyclomandol

DBname

cyclandelate

DBSynonym

3,5,5-trimethylcyclohexyl amygdalate

cyclandelatum [inn-latin]

ciclandelato [inn-spanish]

3,5,5-trimethylcyclohexyl mandelate

cyclandelic acid

3,3,5-trimethylcyclohexyl mandelate

Definition

The ester obtained by formal condensation of mandelic acid and 3,3,5-tricyclohexanol. It is a direct-acting smooth muscle relaxant used to dilate blood vessels.

has role

http://purl.obolibrary.org/obo/CHEBI_35620

InChI

InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3

InChIKey

InChIKey=WZHCOOQXZCIUNC-UHFFFAOYSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_3508

label

cyclandelate

may interact with

http://purl.obolibrary.org/obo/CHEBI_50861

prefixIRI

obo2:CHEBI_3988

prefLabel

cyclandelate

related with

http://purl.obolibrary.org/obo/dinto_0470

SMILES

CC1CC(CC(C)(C)C1)OC(=O)C(O)c1ccccc1

CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1

Synonym

ciclandelato

C17H24O3

cyclandelate

cyclandelatum

3,5,5-trimethylcyclohexyl amygdalate

3,3,5-trimethylcyclohexyl mandelate

3,3,5-trimethylcyclohexyl 2-hydroxy-2-phenylacetate

3,3,5-trimethylcyclohexyl hydroxy(phenyl)acetate

xref

Drugs.com:http://www.drugs.com/mtm/cyclandelate.html

ChEMBL:1004871

Beilstein:2216626

CASRN:456-59-7

PubChem Compound:2893

PubChem Substance:46505740

DrugBank:DB04838

ChEBI:3988

ChemSpider:2790

KEGG DRUG:D00286

PharmGKB:PA164748026

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_3988 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3988 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3988 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3988 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3988 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3988 DDSS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3988 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3988 DRON LOOM
http://purl.bioontology.org/ontology/SNMI/C-81580 SNMI LOOM
http://purl.bioontology.org/ontology/ATC/C04AX01 ATC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.241.223.475.180 RH-MESH LOOM
http://purl.obolibrary.org/obo/CHEBI_3988 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_3988 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_3988 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_3988 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_3988 DDSS LOOM
http://purl.obolibrary.org/obo/CHEBI_3988 BIOMODELS LOOM
http://purl.obolibrary.org/obo/NCIT_C77072 BERO LOOM
https://go.drugbank.com/drugs/DB04838 MDM LOOM
http://www.drugbank.ca/drugs/DB04838 FTC LOOM
http://purl.bioontology.org/ontology/MESH/D003495 MESH LOOM
http://purl.bioontology.org/ontology/VANDF/4018058 VANDF LOOM
http://purl.bioontology.org/ontology/RXNORM/2970 RXNORM LOOM
http://purl.bioontology.org/ontology/RCD/bo2.. RCD LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C77072 NCIT LOOM
http://purl.obolibrary.org/obo/OMIT_0004785 OMIT LOOM
http://www.co-ode.org/ontologies/galen#Cyclandelate GALEN LOOM
http://purl.bioontology.org/ontology/NDDF/000696 NDDF LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000146399 OCVDAE LOOM
http://purl.jp/bio/4/id/200906005087897182 IOBC LOOM
http://purl.obolibrary.org/obo/MESH_D003495 BERO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D003495 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387405003 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000146399 NDFRT LOOM
http://stirdf.jst.go.jp/id/200907047497419960 IOBC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.241.511.536.180 RH-MESH LOOM
http://www.phoc.org.cn/pmo/class/PMO_00016541 PMAPP-PMO LOOM