1-[2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one - Moligand™ , Inhibitor of Solute carrier family 28 member 3, CAS No.S608772, Inhibitor of Solute carrier family 28 member 3

CAS: S608772 Cat. No.: S608772 PubChem CID: 25195323

GRADE & PURITY Moligand™

Synonyms

compound 16

Storage

Room temperature

Specifications

Synonyms

compound 16

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Solute carrier family 28 member 3

Names and Identifiers

• Canonical Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)Oc1cc(O)cc(c1C(=O)CCc1ccc(cc1)O)O
• IUPAC Name: 1-[2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
• InChIKey: ONBQEOIKXPHGMB-VBSBHUPXSA-N
• INCHI: 1S/C20H22O9/c21-9-16-18(26)19(27)20(29-16)28-15-8-12(23)7-14(25)17(15)13(24)6-3-10-1-4-11(22)5-2-10/h1-2,4-5,7-8,16,18-23,25-27H,3,6,9H2/t16-,18-,19-,20-/m1/s1
• Isomeric SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
• PubChem CID: 25195323

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: 2'-Hydroxy-dihydrochalcones
• Alternative Parents: Cinnamylphenols Phenolic glycosides Alkyl-phenylketones Butyrophenones O-glycosyl compounds Pentoses Aryl alkyl ketones Benzoyl derivatives Resorcinols Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxolanes Vinylogous acids Secondary alcohols Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Aldehydes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2'-hydroxy-dihydrochalcone - Cinnamylphenol - Phenolic glycoside - Alkyl-phenylketone - O-glycosyl compound - Glycosyl compound - Butyrophenone - Pentose monosaccharide - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Resorcinol - Phenol ether - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Oxolane - Ketone - Secondary alcohol - Organoheterocyclic compound - Acetal - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Organooxygen compound - Primary alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2'-hydroxy-dihydrochalcones. These are organic compounds containing dihydrochalcone skeleton that carries a hydroxyl group at the 2'-position.
• 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)

SLC28A3 Tchem Solute carrier family 28 member 3 (1 Activities)

Discover Target: SLC28A3

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

SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 Activities)

Discover Target: SLC29A1

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

Mechanisms of Action