The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

ethinyl estradiol
Synonyms

(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol

C20H24O2

ID

http://purl.obolibrary.org/obo/dinto_DB00977

activates

http://purl.obolibrary.org/obo/dinto_3162

http://purl.obolibrary.org/obo/dinto_2827

ATCCode

G03CA01

binds

http://purl.obolibrary.org/obo/dinto_3489

http://purl.obolibrary.org/obo/dinto_1221

http://purl.obolibrary.org/obo/dinto_1974

http://purl.obolibrary.org/obo/dinto_0887

http://purl.obolibrary.org/obo/dinto_2827

http://purl.obolibrary.org/obo/dinto_3162

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1440

CASRN

57-63-6

DBBrand

estinyl

DBSynonym

17-ethinyl-3,17-estradiol

ethynylestradiol

17 alpha-ethinylestradiol

ethinylestradiolum [inn-latin]

ethinylestradiol

etinilestradiol [inn-spanish]

17-ethinylestradiol

17 alpha-ethynylestradiol

17 alpha-ethynyloestradiol

ethynyl estradiol

ethinylestriol

17?-ethynylestradiol

17alpha-ethinyl estradiol

17-ethinyl-3,17-oestradiol

ethinyl-oestranol

ethynyloestradiol

ethinyloestradiol

Definition

A semisynthetic alkylated estradiol with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally and is often used as the estrogenic component in oral contraceptives [PubChem]. Ethinyl estradiol is marketed mostly as a combination oral contraceptive under several brand names such as Alesse, Tri-Cyclen, Triphasil, and Yasmin. The FDA label includes a black box warning that states that combination oral contraceptives should not be used in women over 35 years old who smoke due to the increased risk of serious cardiovascular side effects.

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2827

InChI

InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

InChIKey

InChIKey=BFPYWIDHMRZLRN-SLHNCBLASA-N

induces

http://purl.obolibrary.org/obo/dinto_1974

http://purl.obolibrary.org/obo/dinto_0887

http://purl.obolibrary.org/obo/dinto_3489

inhibits

http://purl.obolibrary.org/obo/dinto_3489

http://purl.obolibrary.org/obo/dinto_1221

is metabolised by

http://purl.obolibrary.org/obo/dinto_0901

is substrate of

http://purl.obolibrary.org/obo/dinto_0901

http://purl.obolibrary.org/obo/dinto_1440

is transported by

http://purl.obolibrary.org/obo/dinto_1440

label

ethinyl estradiol

may interact with

http://purl.obolibrary.org/obo/CHEBI_7809

http://purl.obolibrary.org/obo/CHEBI_102524

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_DB00794

http://purl.obolibrary.org/obo/CHEBI_102166

http://purl.obolibrary.org/obo/dinto_DB00306

http://purl.obolibrary.org/obo/CHEBI_4888

http://purl.obolibrary.org/obo/CHEBI_499361

http://purl.obolibrary.org/obo/CHEBI_5683

http://purl.obolibrary.org/obo/CHEBI_2956

http://purl.obolibrary.org/obo/CHEBI_40050

http://purl.obolibrary.org/obo/dinto_DB01355

http://purl.obolibrary.org/obo/dinto_DB01223

http://purl.obolibrary.org/obo/dinto_DB00745

http://purl.obolibrary.org/obo/CHEBI_63334

http://purl.obolibrary.org/obo/CHEBI_4031

http://purl.obolibrary.org/obo/CHEBI_61049

http://purl.obolibrary.org/obo/CHEBI_45304

http://purl.obolibrary.org/obo/CHEBI_102216

http://purl.obolibrary.org/obo/dinto_DB00532

http://purl.obolibrary.org/obo/CHEBI_8069

http://purl.obolibrary.org/obo/dinto_DB00312

http://purl.obolibrary.org/obo/CHEBI_161680

http://purl.obolibrary.org/obo/CHEBI_53766

http://purl.obolibrary.org/obo/CHEBI_8772

http://purl.obolibrary.org/obo/dinto_DB01354

http://purl.obolibrary.org/obo/CHEBI_8382

http://purl.obolibrary.org/obo/CHEBI_133809

http://purl.obolibrary.org/obo/CHEBI_28971

http://purl.obolibrary.org/obo/dinto_DB01323

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_27701

http://purl.obolibrary.org/obo/CHEBI_59594

http://purl.obolibrary.org/obo/dinto_DB00237

http://purl.obolibrary.org/obo/CHEBI_6367

http://purl.obolibrary.org/obo/dinto_DB01352

http://purl.obolibrary.org/obo/CHEBI_63631

http://purl.obolibrary.org/obo/CHEBI_15367

http://purl.obolibrary.org/obo/CHEBI_6919

http://purl.obolibrary.org/obo/CHEBI_6758

http://purl.obolibrary.org/obo/CHEBI_6827

http://purl.obolibrary.org/obo/CHEBI_4728

http://purl.obolibrary.org/obo/CHEBI_3387

http://purl.obolibrary.org/obo/CHEBI_6805

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/dinto_DB01351

http://purl.obolibrary.org/obo/CHEBI_6339

http://purl.obolibrary.org/obo/CHEBI_9587

http://purl.obolibrary.org/obo/CHEBI_27902

http://purl.obolibrary.org/obo/CHEBI_49566

http://purl.obolibrary.org/obo/dinto_DB01606

http://purl.obolibrary.org/obo/CHEBI_7447

http://purl.obolibrary.org/obo/CHEBI_31444

http://purl.obolibrary.org/obo/CHEBI_4513

http://purl.obolibrary.org/obo/CHEBI_4511

http://purl.obolibrary.org/obo/CHEBI_51450

http://purl.obolibrary.org/obo/dinto_DB00503

http://purl.obolibrary.org/obo/dinto_DB06201

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_28077

http://purl.obolibrary.org/obo/CHEBI_8232

http://purl.obolibrary.org/obo/CHEBI_50694

http://purl.obolibrary.org/obo/dinto_DB01586

http://purl.obolibrary.org/obo/dinto_DB01353

http://purl.obolibrary.org/obo/dinto_DB06210

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_2968

http://purl.obolibrary.org/obo/CHEBI_9073

http://purl.obolibrary.org/obo/CHEBI_2676

http://purl.obolibrary.org/obo/CHEBI_9753

modulates

http://purl.obolibrary.org/obo/dinto_3162

http://purl.obolibrary.org/obo/dinto_2827

prefixIRI

obo2:dinto_DB00977

prefLabel

ethinyl estradiol

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3

Synonym

(1S,10R,11S,14R,15S)-14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol

C20H24O2

xref

Wikipedia:http://en.wikipedia.org/wiki/Ethinylestradiol

RxList:http://www.rxlist.com/cgi/generic/estinyl.htm

ChEBI:4903

PharmGKB:PA449527

PubChem Substance:46508618

PubChem Compound:5991

ChemSpider:5770

Drugs Product Database (DPD):28231

subClassOf

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

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http://www.semanticweb.org/administrator/ontologies/2022/0/untitled-ontology-34#OWLClassad5df904_33f2_406d_a669_9765b3191ffc WWECA LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C486 NCIT LOOM
http://purl.bioontology.org/ontology/CSP/1065-9892 CRISP LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#4698 OCHV LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018646 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/126097006 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000039238 PDQ LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D004997 RH-MESH LOOM
http://purl.obolibrary.org/obo/OMIT_0006226 OMIT LOOM
http://purl.bioontology.org/ontology/MESH/D004997 MESH LOOM
https://go.drugbank.com/drugs/DB00977 MDM LOOM
http://purl.obolibrary.org/obo/NCIT_C486 BERO LOOM
http://purl.bioontology.org/ontology/ATC/L02AA03 ATC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000146366 NDFRT LOOM
http://purl.obolibrary.org/obo/CHEBI_4903 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_4903 FIDEO LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0015011 OCHV LOOM
http://purl.bioontology.org/ontology/VANDF/4018022 VANDF LOOM
http://www.drugbank.ca/drugs/DB00977 FTC LOOM
http://purl.bioontology.org/ontology/ATC/G03CA01 ATC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D06.472.334.851.437.968.500 RH-MESH LOOM
http://purl.bioontology.org/ontology/NDDF/001286 NDDF LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.668.651.568.291 RH-MESH LOOM
http://purl.bioontology.org/ontology/RXNORM/4124 RXNORM LOOM
http://purl.obolibrary.org/obo/MESH_D004997 BERO LOOM