Gomisin G - Moligand™,≥99% , CAS No.62956-48-3

CAS: 62956-48-3 Cat. No.: G651683 Formula: C₃₀H₃₂O₉ Molecular Weight: 536.57 PubChem CID: 14992067

GRADE & PURITY Moligand™, ≥99%

Synonyms

(-)-Gomisin G | 6B4CV8T31X | Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-7,8-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 8-benzoate, (6S,7S,8S,13aS)- | GOMISING | Q27264434 | Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-7,8-d

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(-)-Gomisin G | 6B4CV8T31X | Benzo(3,4)cycloocta(1,2-f)(1,3)benzodioxole-7,8-diol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, 8-benzoate, (6S,7S,8S,13aS)- | GOMISING | Q27264434 | Benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole-7,8-d

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Gomisin G is a lignin from S. chinesis with anti-HIV (EC50 = 0.006 μg/mL), anti-liver cancer and anti-inflammatory activities. Gomisin G has an AKT-cyclin D1 dependent mechanism against triple-negative breast cancer (TNBC) cells through suppressing phosph

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

≥99%

Names and Identifiers

Canonical Smiles

CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1(C)O)OC(=O)C5=CC=CC=C5)OCO4)OC)OC)OC)OC

IUPAC Name

[(9S,10S,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] benzoate

InChIKey

OFDWKHIQKPKRKY-DSASHONVSA-N

INCHI

1S/C30H32O9/c1-16-12-18-13-20(33-3)24(34-4)26(35-5)22(18)23-19(14-21-25(27(23)36-6)38-15-37-21)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1

Isomeric SMILES

C[C@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@]1(C)O)OC(=O)C5=CC=CC=C5)OCO4)OC)OC)OC)OC

Alternate CAS

62956-48-3

PubChem CID

14992067

Molecular Weight

536.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Tannins
      • Subclass Hydrolyzable tannins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Tannins
• Subclass: Hydrolyzable tannins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrolyzable tannins
• Alternative Parents: Dibenzocyclooctadiene lignans Benzoic acid esters Benzodioxoles Benzoyl derivatives Anisoles Alkyl aryl ethers Tertiary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydrolyzable tannin - Dibenzocyclooctane lignan - Benzoate ester - Benzodioxole - Benzoic acid or derivatives - Anisole - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Acetal - Ether - Carboxylic acid derivative - Organooxygen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.
• 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)

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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HL-60 (67320 Activities)

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Raji (5516 Activities)

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SK-MEL (619 Activities)

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SK-OV-3 (52876 Activities)

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KB (17409 Activities)

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BT-549 (31254 Activities)

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Associated Targets(non-human)

Human immunodeficiency virus 1 (70413 Activities)

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Human immunodeficiency virus (3636 Activities)

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LLC-PK1 (2135 Activities)

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Vero (26788 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 50 mg/mL (93.18 mM)
• Molecular Weight: 536.600 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 536.205 Da
• Monoisotopic Mass: 536.205 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 833.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 62956-48-3, the molecular formula is C30H32O9, and the molecular weight is 536.57 g/mol. InChIKey OFDWKHIQKPKRKY-DSASHONVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.