Kuraridine - Moligand™,≥97% , CAS No.34981-25-4

CAS: 34981-25-4 Cat. No.: K649108 Molecular Weight: 438.51 PubChem CID: 44428631

GRADE & PURITY Moligand™, ≥97%

Synonyms

BDBM50366787 | MS-27861 | (2E)-1-[2,4-Dihydroxy-6-methoxy-3-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]phenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one | AKOS040761957 | DTXSID501319126 | PIAPWPAWQGDOMN-SXAWMYDMSA-N | HY-121381 | 2-Propen-1-one, 1-[2,4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Kuraridine is a prenylated flavonol extract from the roots of Sophora flavescens. Kuraridine has an inhibitory effect on cGMP specific phosphodiesterase type 5 (PDE5) (IC50=0.64 μM).

Specifications

Synonyms

BDBM50366787 | MS-27861 | (2E)-1-[2, 4-Dihydroxy-6-methoxy-3-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]phenyl]-3-(2, 4-dihydroxyphenyl)-2-propen-1-one | AKOS040761957 | DTXSID501319126 | PIAPWPAWQGDOMN-SXAWMYDMSA-N | HY-121381 | 2-Propen-1-one, 1-[2, 4

Specifications & Purity

Moligand™, ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=CCC(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C(=C)C)C
• IUPAC Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
• InChIKey: PIAPWPAWQGDOMN-SXAWMYDMSA-N
• INCHI: 1S/C26H30O6/c1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29/h6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3/b11-9+/t18-/m1/s1
• Isomeric SMILES: CC(=CC[C@H](CC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)C(=C)C)C
• Alternate CAS: 34981-25-4
• PubChem CID: 44428631
• MeSH Entry Terms: kuraridin
• Molecular Weight: 438.51

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: 3-prenylated chalcones
• Alternative Parents: 2'-Hydroxychalcones Cinnamylphenols Hydroxycinnamic acids and derivatives Aromatic monoterpenoids Methoxyphenols Monocyclic monoterpenoids Anisoles Styrenes Aryl ketones Benzoyl derivatives Resorcinols Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Acryloyl compounds Enones Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-prenylated chalcone - 2'-hydroxychalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Methoxyphenol - Monocyclic monoterpenoid - Monoterpenoid - Aromatic monoterpenoid - Phenoxy compound - Anisole - Phenol ether - Resorcinol - Styrene - Methoxybenzene - Aryl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Ketone - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 3-prenylated chalcones. These are chalcones featuring a C5-isoprenoid unit at the 3-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)

PTGS1 Tclin Prostaglandin G/H synthase 1 (1 Activities)

Discover Target: PTGS1

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

PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

Discover Target: PDE5A

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

Associated Targets(non-human)

Slc5a1 Sodium/glucose cotransporter 1 (11 Activities)

Discover Target: Slc5a1

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

Slc5a2 Sodium/glucose cotransporter 2 (17 Activities)

Discover Target: Slc5a2

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

Human alphaherpesvirus 2 (4932 Activities)

Explore this target

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

Human alphaherpesvirus 1 (11089 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 100 mg/mL (228.04 mM)
• Molecular Weight: 438.500 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 438.204 Da
• Monoisotopic Mass: 438.204 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 694.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1