Trilobatin - 10mM in DMSO , CAS No.4192-90-9

CAS: 4192-90-9 Cat. No.: T423894 Summenformel: C₂₁H₂₄O₁₀ Molekulargewicht: 436.41 EG-Nummer: 111-915-0 PubChem CID: 6451798

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

SCHEMBL1144758 | Z3251695350 | 1-Propanone, 1-(4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)- | WLN: T6NJ B1 CQ D1 E1Q & GH | 6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepin-dihydrogenphosphat | BSPBio_001984 | PRUNIN DIHYDROCHALCONE | p-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

Trilobatin Trilobatin (P-Phlorizin), a natural flavonoid lipid molecule, is an HIV-1 entry inhibitor targeting the HIV-1 Gp41 envelope and exihibits anti-oxidant and anti-inflammatory effect.

Targets

HIV-1 entry

Spezifikationen

Synonyme

SCHEMBL1144758 | Z3251695350 | 1-Propanone, 1-(4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)- | WLN: T6NJ B1 CQ D1 E1Q & GH | 6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepin-dihydrogenphosphat | BSPBio_001984 | PRUNIN DIHYDROCHALCONE | p-

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Trilobatin (P-Phlorizin), a natural flavonoid lipid molecule, is an HIV-1 entry inhibitor targeting the HIV-1 Gp41 envelope and exihibits anti-oxidant and anti-inflammatory effect.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

0.827

HBD-Zahl

7

Rotationsfähige Bindung

7

Namen und Kennungen

Pubchem Sid

528769033

Kanonisches Lächeln

C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O)O

IUPAC Name

1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one

InChIKey

GSTCPEBQYSOEHV-QNDFHXLGSA-N

INCHI

1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1

Isomere SMILES

C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

PubChem CID

6451798

Molekulargewicht

436.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Flavonoids
      • Subclass Flavonoid glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonoid O-glycosides
• Alternative Parents: 2'-Hydroxy-dihydrochalcones Cinnamylphenols Phenolic glycosides Alkyl-phenylketones Hexoses Butyrophenones O-glycosyl compounds Phenol ethers Resorcinols Benzoyl derivatives Aryl alkyl ketones Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Vinylogous acids Secondary alcohols Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Flavonoid o-glycoside - 2'-hydroxy-dihydrochalcone - Linear 1,3-diarylpropanoid - Cinnamylphenol - Phenolic glycoside - Alkyl-phenylketone - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Butyrophenone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Resorcinol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxane - Vinylogous acid - Secondary alcohol - Ketone - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as flavonoid o-glycosides. These are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
• 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

Zugehörige Ziele (nicht menschlich)

Staphylococcus aureus (210822 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 10
• DMSO (mM) Maximale Löslichkeit: 22.9142708841696
• Molekulargewicht: 436.400 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 436.137 Da
• Monoisotopic Mass: 436.137 Da
• Topological Polar Surface Area: 177.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 569.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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