Garcinone C - Moligand™,≥95% , CAS No.76996-27-5

CAS: 76996-27-5 Cat. No.: G648942 Molecular Weight: 414.45 PubChem CID: 44159808

GRADE & PURITY Moligand™, ≥95%

Synonyms

1,3,6,7-TETRAHYDROXY-8-(3-HYDROXY-3-METHYLBUTYL)-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE | CHEBI:175308 | MS-27173 | BDBM50509699 | DTXSID60657670 | Garcinone C | GarcinoneC | Garcinone-C | AKOS032948214 | F82148 | FT-0686618 | HY-N6954 | 1,3,6,7-tetra

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1, 3, 6, 7-TETRAHYDROXY-8-(3-HYDROXY-3-METHYLBUTYL)-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE | CHEBI:175308 | MS-27173 | BDBM50509699 | DTXSID60657670 | Garcinone C | GarcinoneC | Garcinone-C | AKOS032948214 | F82148 | FT-0686618 | HY-N6954 | 1, 3, 6, 7-tetra

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

Garcinone C, a xanthone derivative, is a natural compound extracted from Garcinia oblongifolia that is used as an anti-inflammatory, astringency and granulation-promoting medicine, and has potential cytotoxic effects on certain cancers. Garcinone C stimul

Storage

Protected from light, 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

≥95%

Names and Identifiers

• Canonical Smiles: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C
• IUPAC Name: 1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one
• InChIKey: HLOCLVMUASBDDP-UHFFFAOYSA-N
• INCHI: 1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3
• Isomeric SMILES: CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C
• PubChem CID: 44159808
• Molecular Weight: 414.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes
            • Level7 Xanthones
              • Level8 8-prenylated xanthones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans - Xanthenes - Xanthones
• Direct Parent: 8-prenylated xanthones
• Alternative Parents: 2-prenylated xanthones Chromones Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Tertiary alcohols Heteroaromatic compounds Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-prenylated xanthone - 8-prenylated xanthone - Chromone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Pyran - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Vinylogous acid - Polyol - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 8-prenylated xanthones. These are organic compounds containing a C5-isoprenoid group linked to a xanthone moiety at the 8-position. Xanthone is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring that carries a ketone group.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (241.28 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 414.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 414.168 Da
• Monoisotopic Mass: 414.168 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 656.000
• 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