gemini - Moligand™ , Agonist of Vitamin D receptor, CAS No.G610544, Agonist of Vitamin D receptor

CAS: G610544 Cat. No.: G610544 PubChem CID: 44339465

GRADE & PURITY Moligand™

Synonyms

1R,25-dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D3 | KH

Storage

Room temperature

Specifications

Synonyms

1R, 25-dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D3 | KH

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of Vitamin D receptor

Names and Identifiers

• Canonical Smiles: O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3(C2CC[C@@H]3C(CCCC(O)(C)C)CCCC(O)(C)C)C)/C1
• IUPAC Name: (1R,3S,5Z)-5-{2-[(1R,4E,7aR)-1-(2,10-dihydroxy-2,10-dimethylundecan-6-yl)-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
• InChIKey: WTQXZYVWLNPNEX-YEWRDARRSA-N
• INCHI: 1S/C32H54O4/c1-22-25(20-26(33)21-29(22)34)14-13-24-12-9-19-32(6)27(15-16-28(24)32)23(10-7-17-30(2,3)35)11-8-18-31(4,5)36/h13-14,23,26-29,33-36H,1,7-12,15-21H2,2-6H3/b24-13+,25-14-/t26-,27-,28?,29+,32-/m1/s1
• Isomeric SMILES: C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)/C1CC[C@@H]2C(CCCC(C)(C)O)CCCC(C)(C)O
• PubChem CID: 44339465

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Vitamin D and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Vitamin D and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Vitamin D and derivatives
• Alternative Parents: Triterpenoids Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Triterpenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as vitamin d and derivatives. These are compounds containing a secosteroid backbone, usually secoergostane or secocholestane.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

VDR Tclin Vitamin D3 receptor (0 Activities)

Discover Target: VDR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action