IBD Research Resource Center

BioID	bio82919
Name	DOXERCALCIFEROL
ChEMBL ID	CHEMBL1200810
Molecular Formula	C28H44O2
Molecular Weight	412.66
Molecular Weight (Monoisotopic)	412.3341
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar58
Target Name	None
Synonyms	1-.ALPHA.-HYDROXYERGOCALCIFEROL\|1-ALPHA-HYDROXYERGOCALCIFEROL\|1-HYDROXYERGOCALCIFEROL\|1.ALPHA.-HYDROXYERGOCALCIFEROL\|1.ALPHA.-HYDROXYVITAMIN D2\|DOXERCALCIFEROL\|GZ427397\|HECTOROL\|TSA-840
Smiles	C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
Inchi	InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1
Inchi Key	HKXBNHCUPKIYDM-CGMHZMFXSA-N
Molecular Species	NEUTRAL
Targets	17.0
Bioactivities	1055.0
Np Likeness Score	2.83
Records Key	['DOXERCALCIFEROL', 'Doxercalciferol', 'SID144206531', 'doxercalciferol', 'EUB0000583a', 'DOXERCALCIFEROL', 'DOXERCALCIFEROL', 'DOXERCALCIFEROL', 'EUB0000583a']
Records Name	['DOXERCALCIFEROL', 'Doxercalciferol', 'SID144206531', 'doxercalciferol', 'doxercalciferol', 'DOXERCALCIFEROL', 'DOXERCALCIFEROL', 'DOXERCALCIFEROL', 'doxercalciferol']
Withdrawn Flag	False
Orphan	0