Cynarin - 10mM in DMSO , CAS No.30964-13-7

CAS: 30964-13-7 Cat. No.: C423197 Formula: C₂₅H₂₄O₁₂ Peso molecolare: 516.45 Numero EC: 845-639-3 PubChem CID: 5281769

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

Cynarine [INN:WHO-DD] | 1-O,3-O-Bis(3,4-dihydroxycinnamoyl)chinasaeure | Cyclohexanecarboxylic acid, 1,3-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-4,5-dihydroxy-, (1R,3R,4S,5R)- | Cynarine | AC-6022 | (1R,3R,4S,5R)-1,3-bis(((E)-3-(3,4-dih

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifiche

Sinonimi

Cynarine [INN:WHO-DD] | 1-O,3-O-Bis(3,4-dihydroxycinnamoyl)chinasaeure | Cyclohexanecarboxylic acid, 1,3-bis(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-4,5-dihydroxy-, (1R,3R,4S,5R)- | Cynarine | AC-6022 | (1R,3R,4S,5R)-1,3-bis(((E)-3-(3,4-dih

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Phenolic compound found in artichoke. Antioxidant and choleretic properties. Potential immunosuppressive agent.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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

Nomi e identificatori

Pubchem Sid

528772928

Sorrisi canonici

O[C@@H]1C[C@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(O)=O

IUPAC Name

(1R,3R,4S,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid

InChIKey

YDDUMTOHNYZQPO-RVXRWRFUSA-N

INCHI

1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1

Isomeri SMILES

C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O

WGK Germania

3

PubChem CID

5281769

Peso molecolare

516.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Cyclic alcohols and derivatives
          • Level6 Cyclitols and derivatives
            • Level7 Quinic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Cyclic alcohols and derivatives - Cyclitols and derivatives
• Direct Parent: Quinic acids and derivatives
• Alternative Parents: Coumaric acids and derivatives Cinnamic acid esters Tricarboxylic acids and derivatives Styrenes Catechols Fatty acid esters Cyclohexanols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Enoate esters 1,2-diols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Quinic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Tricarboxylic acid or derivatives - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexanol - Phenol - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as quinic acids and derivatives. These are compounds containing a quinic acid moiety (or a derivative thereof), which is a cyclitol made up of a cyclohexane ring that bears four hydroxyl groups at positions 1,3.4, and 5, as well as a carboxylic acid at position 1.
• External Descriptors: quinic acid - alkyl caffeate ester

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

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TYR Tclin Tyrosinase (717 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

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SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

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STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

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MT2 (2907 Activities)

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SH-SY5Y (11521 Activities)

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STAT5B Tchem Signal transducer and activator of transcription 5B (90 Activities)

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GPT Tbio Alanine aminotransferase 1 (5 Activities)

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STAT1 Tchem Signal transducer and activator of transcription 1-alpha/beta (808 Activities)

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pol Human immunodeficiency virus type 1 integrase (9041 Activities)

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rmlD dTDP-4-dehydrorhamnose reductase (49 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 516.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 516.127 Da
• Monoisotopic Mass: 516.127 Da
• Topological Polar Surface Area: 211.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 887.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1