loading...| Preferred Name |
calcipotriol |
|
| Synonyms |
calcipotriol (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol Dovonex Calcipotriene C27H40O3 CALCIPOTRIOL Calcipotriol (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol Daivonex |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50749 |
|
| altId |
CHEBI:43947 CHEBI:31335 |
|
| ATCCode |
D05AX02 |
|
| binds |
http://purl.obolibrary.org/obo/dinto_0859 |
|
| blocks | ||
| CASRN |
112965-21-6 |
|
| DBBrand |
dovonex davonex |
|
| DBname |
calcipotriol |
|
| DBSynonym |
calcipotriene |
|
| Definition |
A seco-cholestane that has formula C27H40O3. |
|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0001397 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000894 |
|
| has role | ||
| InChI |
InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1 |
|
| InChIKey |
InChIKey=LWQQLNNNIPYSNX-UROSTWAQSA-N |
|
| inhibits | ||
| is metabolised by | ||
| is substrate of | ||
| label |
calcipotriol |
|
| may interact with |
http://purl.obolibrary.org/obo/dinto_DB00169 http://purl.obolibrary.org/obo/dinto_DB00364 http://purl.obolibrary.org/obo/dinto_DB01436 |
|
| modulates | ||
| prefixIRI |
obo2:CHEBI_50749 |
|
| prefLabel |
calcipotriol |
|
| SMILES |
O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1 [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\\C=C\\[C@@H](O)C1CC1 |
|
| Synonym |
calcipotriol (1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol Dovonex Calcipotriene C27H40O3 CALCIPOTRIOL Calcipotriol (1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R,3E,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol Daivonex |
|
| xref |
Drugs Product Database (DPD):1976133 KEGG DRUG:D01125 LIPID MAPS:LMST03020106 Patent:US4866048 IUPHAR:2778 ChEBI:50749 CASRN:112965-21-6 PharmGKB:PA448714 Wikipedia:http://en.wikipedia.org/wiki/Calcipotriol ChEMBL:774617 RxList:http://www.rxlist.com/cgi/generic/calcipo.htm Guide To Pharmacology:2778 National Drug Code Directory:0168-0400-60 PDB:MC9 Patent:WO8700834 PDBeChem:MC9 DrugBank:DB02300 |
|
| subClassOf |