The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	mestranol
Synonyms	(1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol C21H26O2
ID	http://purl.obolibrary.org/obo/dinto_DB01357
activates	http://purl.obolibrary.org/obo/dinto_2827
CASRN	72-33-3
Definition	The 3-methyl ether of ethinyl estradiol. It must be demethylated to be biologically active. It is used as the estrogen component of many combination ORAL contraceptives. [PubChem]
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2827
InChI	InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
InChIKey	InChIKey=IMSSROKUHAOUJS-MJCUULBUSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_2058
label	mestranol
may interact with	http://purl.obolibrary.org/obo/dinto_DB01303 http://purl.obolibrary.org/obo/CHEBI_5098 http://purl.obolibrary.org/obo/dinto_DB01604 http://purl.obolibrary.org/obo/dinto_DB00400 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/dinto_DB00417 http://purl.obolibrary.org/obo/dinto_DB00794 http://purl.obolibrary.org/obo/CHEBI_102166 http://purl.obolibrary.org/obo/CHEBI_499361 http://purl.obolibrary.org/obo/CHEBI_40050 http://purl.obolibrary.org/obo/dinto_DB01223 http://purl.obolibrary.org/obo/dinto_DB00745 http://purl.obolibrary.org/obo/CHEBI_4031 http://purl.obolibrary.org/obo/CHEBI_18208 http://purl.obolibrary.org/obo/CHEBI_3393 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/CHEBI_8772 http://purl.obolibrary.org/obo/CHEBI_8382 http://purl.obolibrary.org/obo/CHEBI_28971 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/CHEBI_48947 http://purl.obolibrary.org/obo/CHEBI_7824 http://purl.obolibrary.org/obo/CHEBI_50845 http://purl.obolibrary.org/obo/CHEBI_8228 http://purl.obolibrary.org/obo/CHEBI_59594 http://purl.obolibrary.org/obo/CHEBI_6367 http://purl.obolibrary.org/obo/CHEBI_63631 http://purl.obolibrary.org/obo/CHEBI_15367 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/CHEBI_63629 http://purl.obolibrary.org/obo/CHEBI_10033 http://purl.obolibrary.org/obo/CHEBI_63628 http://purl.obolibrary.org/obo/CHEBI_27902 http://purl.obolibrary.org/obo/CHEBI_49566 http://purl.obolibrary.org/obo/CHEBI_4511 http://purl.obolibrary.org/obo/CHEBI_51450 http://purl.obolibrary.org/obo/CHEBI_8378 http://purl.obolibrary.org/obo/dinto_DB01320 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_28177 http://purl.obolibrary.org/obo/CHEBI_27999 http://purl.obolibrary.org/obo/CHEBI_28077 http://purl.obolibrary.org/obo/CHEBI_8232 http://purl.obolibrary.org/obo/CHEBI_50694 http://purl.obolibrary.org/obo/CHEBI_195280 http://purl.obolibrary.org/obo/dinto_DB00220 http://purl.obolibrary.org/obo/CHEBI_4392 http://purl.obolibrary.org/obo/CHEBI_2676
prefixIRI	obo2:dinto_DB01357
prefLabel	mestranol
SMILES	[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC)C=C3
Synonym	(1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-ol C21H26O2
xref	PubChem Compound:6291 PubChem Substance:46507679 ChEBI:6784 Wikipedia:http://en.wikipedia.org/wiki/Mestranol PharmGKB:PA450388 ChemSpider:6054
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_6784	CHEBI	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/395785001	SNOMEDCT	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D008656	RH-MESH	LOOM
http://purl.bioontology.org/ontology/RXNORM/6782	RXNORM	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#7993	OCHV	LOOM
https://go.drugbank.com/drugs/DB01357	MDM	LOOM
http://purl.bioontology.org/ontology/VANDF/4018119	VANDF	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018647	PMAPP-PMO	LOOM
http://purl.obolibrary.org/obo/CHEBI_6784	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_6784	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_6784	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_6784	DRON	LOOM
http://purl.obolibrary.org/obo/NCIT_C636	BERO	LOOM
http://purl.jp/bio/4/id/200906053210846053	IOBC	LOOM
http://www.co-ode.org/ontologies/galen#Mestranol	GALEN	LOOM
http://id.nlm.nih.gov/mesh/D008656	MDM	LOOM
http://purl.bioontology.org/ontology/NDDF/001273	NDDF	LOOM
http://purl.obolibrary.org/obo/MESH_D008656	BERO	LOOM
http://www.drugbank.ca/drugs/DB01357	FTC	LOOM
http://stirdf.jst.go.jp/id/200907034496815540	IOBC	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.668.651.568.291.500	RH-MESH	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0025506	OCHV	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000146457	NDFRT	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D06.472.334.851.437.968.500.500	RH-MESH	LOOM
http://purl.bioontology.org/ontology/MESH/D008656	MESH	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C636	NCIT	LOOM
http://purl.obolibrary.org/obo/OMIT_0009719	OMIT	LOOM