General Information of the Compound
Compound ID
CP0072299
Compound Name
7-Dehydrocholesterol
    Show/Hide
Synonyms
(+)-Vitamin D3
(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol
(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol
25(OH)D
7-Dehydrocholesterol activated
7-Dehydrocholesterol, Activated
7-Dehydrocholesterol, irradiated
7-Dehydrocholestrol, activated
9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3-ol
9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3beta-ol
9,10-Secocholesta-5(Z),7(E),10(19)-trien-3(beta.)-ol
9,10-Secocholesta-5,7,10(19)-trien-3-beta-ol
Activated 7-dehydrocholesterol
Arachitol
Calciol
Cholecalciferol
Cholecalciferol (D3)
Cholecalciferol (JP15/USP)
Cholecalciferol [USAN:BAN:JAN]
Cholecalciferol, D3
Cholecalciferolum
Colecalciferol
Colecalciferol (INN)
Colecalciferolo
Colecalciferolo [DCIT]
Colecalciferolum
Colecalciferolum [INN-Latin]
Colecalcipherol
D3-Vicotrat
D3-Vigantol
Delsterol
Delta-D
Delta-D (TN)
Deparal
Duphafral D3 1000
Ebivit
FeraCol
Irradiated 7-dehydrocholesterol
LT00244775
Micro-dee
NEO Dohyfral D3
Oleovitamin D3
Provitamine
Provitina
Rampage
Ricketon
TNP00266
Trivitan
VITAMIN D
VITAMIN D3 POWDER
VITAMIN_D3
Vi-de-3-hydrosol
Vigorsan
Vitamin D3
Vitamin D3 emulsifiable
Vitamin d-3
Vitinc Dan-Dee-3
cholecalciferol
    Show/Hide
Structure
Formula
C27H44O
Molecular Weight
384.648
Canonical SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
    Show/Hide
InChI
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
    Show/Hide
InChIKey
QYSXJUFSXHHAJI-YRZJJWOYSA-N
CAS
8024-19-9
8050-67-7
1406-16-2
57651-82-8
Physicochemical Property
logP
7.619
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 5280795
SID: 22395904
ChEMBL ID
CHEMBL1042
DrugBank ID
DB00169
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02378, Vitamin D3 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 0.21 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 87 nM
Clinical Information about the Compound
Drug 1 ( Cholecalciferol )
Drug Name Cholecalciferol
Indication
Vitamin D deficiency
Approved
Target(s)
Vitamin D3 receptor (VDR)
 Target Info 
Binder
Drug 2 ( Cholecalciferol )
Drug Name Cholecalciferol
Indication
Coronavirus Disease 2019 (COVID-19)
Phase 3