UCSF

ZINC04474414

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 29 Yes

Popular Name: Calcifediol Calcifediol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19356-17-3 , 63283-36-3 , [19356-17-3]

Other Names:

(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol; (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol; (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol; 25(OH)D3; 25-hydroxycholecalciferol; 25-hydroxyvitamin D3; calcidiol

(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol

19356-17-3; 25-Hydroxyvitamin D3; C01561; Calcidiol; Calcifediol; Calcifediol anhydrous

25-hydroxy Vitamin D3

25-Hydroxy-cholecalciferol;25-Hydroxycholecalciferol;25-Hydroxyvitamin D3;5,6-cis-25-Hydroxyvitamin D3;9,10-Secocholesta-5,7,10(19)-triene-3b,25-diol;Calcidiol;Calcifediol;Calcifediol anhydrous;Calderol;Didrogyl;Hidroferol

25-Hydroxycholecalciferol monohydrate; 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol monohydrate, (3beta,5Z,7E)-; 9,10-Secocholesta-5,7,10(19)-triene-3,25-diol, monohydrate, (3beta,5Z,7E)-; C27H44O2.C2H6O; CALCIFEDIOL; CALDEROL; Calcifediol [USAN:INN:BAN]

25-Hydroxyvitamin D3

25-hydroxyvitamin D3 / 25-hydroxycholecalciferol / calcidiol

25-Hydroxyvitamin-D3-[2H3]

3-{2-[1R-(5-Hydroxy-1R,5-dimethyl-hexyl)-7R-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexan-1S-ol

63283-36-3; Calcifediol (USP/INN); Calcifediol monohydrate; Calderol (TN); D00122

Calcidiol

Calcidiol, Didrogyl, Hidroferol

Calcifediol Anhydrous

Calcifediol monohydrate

Calcifediol; 3-{2-[1R-(5-Hydroxy-1R,5-dimethyl-hexyl)-7R-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexan-1S-ol

calcifediol; calcifediolum

Calcifediolum [INN-Latin]

Calcifidiol

Calderol

CHEBI:46387; CHEBI:13931; CHEBI:3304; CHEBI:19815

Delakmin

JWH 398 3-chloronaphthyl isomer

LS-187713

MFCD00867077

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.47 10.28 -3.95 2 2 0 40 400.647 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.20e-03 g/l DrugBank-nutriceuticals
UniProt Database Links CP24A_HUMAN; CP24A_MOUSE; CP24A_RAT; CP27B_HUMAN; CP27B_MOUSE; CP27B_RAT; CP2R1_HUMAN; CPVDH_PSEAH ChEBI
Target Others Selleck Chemicals
Reactome Database Links REACT_13458; REACT_13461; REACT_13530; REACT_13608; REACT_13628; REACT_13631; REACT_13792 ChEBI
Target Vitamin Selleck Chemicals
Patent Database Links WO2007092755 ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Vitamin D (calciferol) metabolism
Vitamins

Analogs ( Draw Identity 99% 90% 80% 70% )