Demethylwedelolactone - Moligand™,≥99% , CAS No.6468-55-9

CAS: 6468-55-9 Cat. No.: D647982 Formula: C₁₅H₈O₇ Peso molecolare: 300.23 PubChem CID: 5489605

GRADE & PURITY Moligand™, ≥99%

Synonyms

MS-24319 | A867843 | Norwedelolactone | AKOS015897135 | CHEBI:191036 | SCHEMBL3364302 | HY-N2028 | 1,3,8,9-TETRAHYDROXY-6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE | DTXSID00214968 | UXN2KXV8BB | 1,3,8,9-Tetrahydroxycoumestan | ZB1880 | desmethylwedelolactone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Demethylwedelolactone is a naturally occurring coumestan isolated from Eclipta alba . Demethylwedelolactone is a potent trypsin inhibitor with an IC 50 of 3.0 μM. Demethylwedelolactone suppresses cell motility and cell invasion of breast cancer cell

Specifications

Sinonimi

MS-24319 | A867843 | Norwedelolactone | AKOS015897135 | CHEBI:191036 | SCHEMBL3364302 | HY-N2028 | 1,3,8,9-TETRAHYDROXY-6H-BENZOFURO(3,2-C)(1)BENZOPYRAN-6-ONE | DTXSID00214968 | UXN2KXV8BB | 1,3,8,9-Tetrahydroxycoumestan | ZB1880 | desmethylwedelolactone

Specifiche e purezza

Moligand™,≥99%

Meccanismi biochimici e fisiologici

Demethylwedelolactone is a coumestan extracted from Eclipta alba that exhibits numerous biological activities including anti-inflammatory and hepato-protective. Demethylwedelolactone inhibits MDA-MB-231 breast cancer cells motility and invasiveness. It su

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 528770426
• Sorrisi canonici: C1=C(C=C2C(=C1O)C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O
• IUPAC Name: 1,3,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one
• InChIKey: LUTYTNLPIUCKBJ-UHFFFAOYSA-N
• INCHI: 1S/C15H8O7/c16-5-1-9(19)13-11(2-5)22-15(20)12-6-3-7(17)8(18)4-10(6)21-14(12)13/h1-4,16-19H
• Isomeri SMILES: C1=C(C=C2C(=C1O)C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O
• PubChem CID: 5489605
• Peso molecolare: 300.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Isoflavonoids
      • Subclass Coumestans

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Isoflavonoids
• Subclass: Coumestans
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumestans
• Alternative Parents: Angular furanocoumarins 1-benzopyrans Furopyrans Benzofurans Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Furans Lactones Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumestan - Furanocoumarin - Angular furanocoumarin - Coumarin - 1-benzopyran - Benzopyran - Benzofuran - Furopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as coumestans. These are polycyclic aromatic compounds containing a coumestan moiety, which consists of a benzoxole fused to a chromen-2-one to form 1-Benzoxolo[3,2-c]chromen-6-one. They are oxidation products of pterocarpan.
• External Descriptors: Coumestan flavonoids

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

Obiettivi associati (umani)

PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)

Discover Target: PTK2

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

NFKBIA Tchem NF-kappaB inhibitor alpha (187 Activities)

Discover Target: NFKBIA

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

SK-HEP1 (1155 Activities)

Explore this target

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

MDA-MB-231 (73002 Activities)

Explore this target

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

Obiettivi associati (non umani)

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

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

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 300.220 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 300.027 Da
• Monoisotopic Mass: 300.027 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 469.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1