Natural Product (NP) Details

General Information of the NP (ID: NP3275)
Name
Vitamin D
Synonyms
cholecalciferol; Vitamin D3; 67-97-0; Calciol; Colecalciferol; VITAMIN D; Oleovitamin D3; Arachitol; Ricketon; Trivitan; Deparal; Vigorsan; Activated 7-dehydrocholesterol; Colecalcipherol; Delsterol; Ebivit; Quintox; Cholecalciferolum; (+)-Vitamin D3; D3-Vicotrat; D3-Vigantol; vitamin d-3; Vi-de-3-hydrosol; NEO Dohyfral D3; Vitinc Dan-Dee-3; Colecalciferolum; Cholecalciferol, D3; Vi-De3; 1406-16-2; Duphafral D3 1000; FeraCol; MFCD00078131; CC; CHEBI:28940; NSC 375571; 9,10-Secocholesta-5,7,10(19)-trien-3-beta-ol; Provitina; 7-Dehydrocholesterol activated; Micro-dee; 7-Dehydrocholesterol, Activated; VidDe-3-hydrosol; Vitamin D3 solution; NSC-375571; Colecalciferol (INN); Colecalciferol [INN]; NCGC00159331-02; Rampage; (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; DSSTox_CID_6294; DSSTox_RID_78090; DSSTox_GSID_26294; (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol; Vitamin D3 (Cholecalciferol); UNII-1C6V77QF41; Vitamin D3, 99%, crystalline; 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3beta-ol; Colecalciferolo; (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol; Colecalciferolo [DCIT]; 9,10-Secocholesta-5(Z),7(E),10(19)-trien-3(.beta.)-ol; Vigantol Oil; (5e)-cholecalciferol; 22350-41-0; Colecalciferol D3; (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol; (S,Z)-3-(2-((1R,3aS,7aR,E)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexan-1-ol; Cyclohexanol, 3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3Z)-; Colecalciferolum [INN-Latin]; Vitamin D 3; 7-Dehydrocholestrol, activated; Irradiated 7-dehydrocholesterol; CCRIS 5813; CCRIS 6286; HSDB 820; 7-Dehydrocholesterol, irradiated; Vitamin D3 emulsifiable; EINECS 200-673-2; EINECS 215-797-2; EPA Pesticide Chemical Code 202901; Vitamin D3; Cholecalciferol; 1C6V77QF41; Devaron; Videkhol; NSC375571; Granuvit D3; Delta-D; DP-R206; CAS-67-97-0; Prestwick_63; Cholecalciferol D3; Cyclohexanol, 3-((2E)-2-((1R,3aS,7aR)-1-((1R)-1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1S,3Z)-; cholecalciferol group; Cholecalciferol [USP:BAN:JAN:ISO]; ()-Vitamin D3; 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3-ol; Delta-D (TN); 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-; Prestwick3_000429; Cholecalciferol Impurity A; bmse000507; UPCMLD-DP152; SCHEMBL3126; CHEMBL1042; BSPBio_000418; 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3b,5Z,7E)-; Cholecalciferol; 67-97-0; Cholecalciferol (JP17/USP); BPBio1_000460; MEGxm0_000458; DTXSID6026294; UPCMLD-DP152:001; ACon1_001997; HMS2096E20; Vitamin d assay system suitability; Cholecalciferol, >=98% (HPLC); (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol; 9,10-Secocholestra-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-; Cholecalciferol, analytical standard; ZINC4474460; Tox21_111578; Tox21_202546; BDBM50030475; LMST03020001; s4063; AKOS015950641; AC-8884; CCG-268466; CS-1179; DB00169; SMP1_000068; AK R215 COMPONENT COLECALCIFEROL; AK-R215 COMPONENT COLECALCIFEROL; NCGC00091072-01; NCGC00159331-04; NCGC00260095-01; HY-15398; K119; Vitamin D3 10 microg/mL in Acetonitrile; 9,10-secocholesta-5,7,10-trien-3-ol; Cholecalciferol (D3), analytical standard; 3412-EP2314590A1; 3412-EP2316832A1; 3412-EP2316833A1; 7058-EP2305662A1; C05443; D00188; W-5072; 86554-EP2270000A1; 86554-EP2272827A1; 86554-EP2289483A1; 86554-EP2305640A2; 86554-EP2305684A1; 9,10-Secocholesta-5,7,10(19)-trien-3-ol; Cholecalciferol, meets USP testing specifications; 078V131; 9,10-Secocholesta-5,7,10(19)-trien-3?-ol; Q139347; (5E,7E)-9,10-Secocholesta-5,7,10-trien-3-ol; Q-201931; 3-beta,Z,7E-9,10-Secocholestr-5,7,10(19)-trien-3-ol; Vitamin D3 solution, 100 mug/mL in ethanol, 97% (CP); (3beta,Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol; Cholecalciferol, European Pharmacopoeia (EP) Reference Standard; Colecalciferol, British Pharmacopoeia (BP) Reference Standard; Cholecalciferol, United States Pharmacopeia (USP) Reference Standard; Cholecalciferol for system suitability, European Pharmacopoeia (EP) Reference Standard; Vitamin D3 solution, 1 mg/mL in ethanol, ampule of 1 mL, certified reference material; Cholecalciferol (Vitamin D3), Pharmaceutical Secondary Standard; Certified Reference Material
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Species Origin Saccharomyces cerevisiae ...     Click to Show/Hide
Saccharomyces cerevisiae
Kingdom: Fungi
Phylum: Ascomycota
Class: Saccharomycetes
Order: Saccharomycetales
Family: Saccharomycetaceae
Genus: Saccharomyces cerevisiae
Disease Vitamin deficiency [ICD-11: 5B55-5B5F] Approved [1]
Structure
Click to Download Mol
2D MOL

3D MOL

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Formula
C27H44O
PubChem CID
5280795
Canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
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
InChIKey
QYSXJUFSXHHAJI-YRZJJWOYSA-N
CAS Number
CAS 67-97-0
ChEBI ID
CHEBI:28940
Herb ID
HBIN048048
SymMap ID
SMIT18308
TTD Drug ID
D0K5WS
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Temozolomide      Brain cancer     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Expression BECN1  Molecule Info 
Pathway MAP
Up-regulation Expression MAP1LC3A  Molecule Info 
Pathway MAP
Down-regulation Expression SQSTM1  Molecule Info 
Pathway MAP
                    In-vitro Model C6 CVCL_0194 Rat malignant glioma Rattus norvegicus
                    In-vivo Model To establish the rat glioblastoma model, each rat was anesthetized. Following disinfection and incision of the skin with a scalpel, a hole was drilled through the skull 2-mm lateral and 2-mm anterior to the bregma, on the right side of the skull.
                    Experimental
                    Result(s)		 Combined use of TMZ and VD exerts synergistic antitumor effects on rat models of glioblastoma and may represent an effective therapeutic strategy.
          Spironolactone      Heart failure     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [3]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Expression CCL2  Molecule Info 
Pathway MAP
Down-regulation Expression IL1A  Molecule Info 
Pathway MAP
Down-regulation Expression IL1B  Molecule Info 
Pathway MAP
Down-regulation Expression MMP-9  Molecule Info 
Pathway MAP
Down-regulation Expression NOS2  Molecule Info 
Pathway MAP
                    Biological
                    Regulation		 Increase M2/M1 ratio
                    In-vitro Model RAW-Dual CVCL_A7ZK Mouse leukemia Mus musculus
                    In-vivo Model Six- to eight-week-old C57BL/6J female mice were used in this study.
                    Experimental
                    Result(s)		 VD3 and SP may constitute an effective treatment regimen to improve wound healing after NM or other skin chemical injury.
          Stilbenoids      Influenza     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [4]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Expression CREB3L1  Molecule Info 
Pathway MAP
                    In-vitro Model U-937 CVCL_0007 Adult acute monocytic leukemia Homo sapiens
HaCaT CVCL_0038 Healthy Homo sapiens
                    Experimental
                    Result(s)		 Stilbenoid compounds may have the potential to boost the innate immune response by increasing CAMP gene expression, particularly in combination with 1Alpha,25(OH)2 D3.
          S-farnesylthiosalicylic acid      Lung cancer     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [4]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Down-regulation Expression CCND1  Molecule Info 
Pathway MAP
Down-regulation Expression TIMP1  Molecule Info 
Pathway MAP
                    In-vitro Model Primary hepatic stellate cells derived from rat's liver Healthy Rattus norvegicus
                    In-vivo Model Male Wistar rats (300-400 g) were used in this study.
                    Experimental
                    Result(s)		 The combined treatment may have a potential therapeutic value in the initiation of fibrotic process.
Target and Pathway
Target(s) Vitamin D3 receptor (VDR)  Molecule Info  [5]
KEGG Pathway Endocrine and other factor-regulated calcium reabsorption Click to Show/Hide
2 Mineral absorption
3 Tuberculosis
NetPath Pathway IL4 Signaling Pathway Click to Show/Hide
Panther Pathway Vitamin D metabolism and pathway Click to Show/Hide
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling Click to Show/Hide
2 Direct p53 effectors
3 RXR and RAR heterodimerization with other nuclear receptor
4 Retinoic acid receptors-mediated signaling
5 Validated transcriptional targets of deltaNp63 isoforms
6 Validated transcriptional targets of TAp63 isoforms
Reactome Nuclear Receptor transcription pathway Click to Show/Hide
WikiPathways Ovarian Infertility Genes Click to Show/Hide
2 Nuclear Receptors in Lipid Metabolism and Toxicity
3 Nuclear Receptors Meta-Pathway
4 Vitamin D Receptor Pathway
5 Drug Induction of Bile Acid Pathway
6 Nuclear Receptors
7 Vitamin D Metabolism
References
Reference 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2747).
Reference 2 Autophagy enhancement contributes to the synergistic effect of vitamin D in temozolomide-based glioblastoma chemotherapy. Exp Ther Med. 2016 Jun;11(6):2153-2162.
Reference 3 A novel treatment for skin repair using a combination of spironolactone and vitamin D3. Ann N Y Acad Sci. 2020 Nov;1480(1):170-182.
Reference 4 Vitamin D and S-farnesylthiosalicylic acid have a synergistic effect on hepatic stellate cells proliferation. Dig Dis Sci. 2014 Oct;59(10):2462-9.
Reference 5 [Vitamin D2 or vitamin D3]. Rev Med Interne. 2008 Oct;29(10):815-20.
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