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1,25-Dihydroxy-16-ene-23-yne-vitamin D3 , Vitamin D receptor agonist, CAS No.118694-43-2, Vitamin D receptor agonist
Basic Description
Synonyms | Ro-23-7553 | Ilx 237553 | (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | 5-{2-[1-((1R)-5-Hydroxy-1,5-dimethylhex-3-ynyl)(7aS)-7a-me |
Action Type | AGONIST |
Mechanism of action | Vitamin D receptor agonist |
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Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
IUPAC Name | (1R,3S,5Z)-5-[(2E)-2-[(3aS,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol |
INCHI | InChI=1S/C27H38O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-12,18,22,24-25,28-30H,2,7-9,13,15-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,24+,25+,27-/m1/s1 |
InChi Key | JKFZMIQMKFWJAY-RQJQXFIZSA-N |
Canonical SMILES | CC(CC#CC(C)(C)O)C1=CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C |
Isomeric SMILES | C[C@H](CC#CC(C)(C)O)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C |
PubChem CID | 6438384 |
Molecular Weight | 410.6 |
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