CHEBI:188870 - Idoxifene

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Idoxifene
ChEBI ID CHEBI:188870
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H30INO
Net Charge 0
Average Mass 523.458
Monoisotopic Mass 523.13721
InChI InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27-
InChIKey JJKOTMDDZAJTGQ-DQSJHHFOSA-N
SMILES IC1=CC=C(\C(\C2=CC=C(OCCN3CCCC3)C=C2)=C(/CC)\C4=CC=CC=C4)C=C1
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing Idoxifene (CHEBI:188870) is a stilbenoid (CHEBI:26776)
IUPAC Name
1-[2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine
Manual Xrefs Databases
2298565 ChemSpider
D04496 KEGG DRUG
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Registry Number Type Source
116057-75-1 CAS Registry Number ChemIDplus