Taraxerone - Moligand™,≥98% , CAS No.514-07-8

CAS: 514-07-8 Cat. No.: T650050 分子式: C₃₀H₄₈O 分子量: 424.70 PubChem CID: 92785

グレード＆純度 Moligand™, ≥98%

Synonyms

3(2H)-PICENONE, 1,4,4A,5,6,6A,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-OCTADECAHYDRO-4,4,6A,8A,11,11,12B,14B-OCTAMETHYL-, (4AR-(4Aalpha,6Abeta,8Abeta,12Abeta,12Balpha,14Aalpha,14Bbeta))- | MS-27476 | 4,4,6a,8a,11,11,12b,14b-Octamethyl-1,4,4a,5,6,6a,8,8a,9,10

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

仕様

同義語

3(2H)-PICENONE, 1,4,4A,5,6,6A,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-OCTADECAHYDRO-4,4,6A,8A,11,11,12B,14B-OCTAMETHYL-, (4AR-(4Aalpha,6Abeta,8Abeta,12Abeta,12Balpha,14Aalpha,14Bbeta))- | MS-27476 | 4,4,6a,8a,11,11,12b,14b-Octamethyl-1,4,4a,5,6,6a,8,8a,9,10

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

Taraxerone is isolated from Sedum sarmentosum. Taraxerone enhances effects on alcohol dehydrogenase (ADH) and acetaldehyde dehydrogenase (ALDH) activities with EC50 values of 512.42 and 500.16 μM, respectively

保管条件

Store at 2-8°C,Protected from light,Argon charged,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

カノニカル・スマイル

CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C

IUPAC Name

(4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one

InChIKey

DBCAVZSSFGIHQZ-YLAYQGCQSA-N

INCHI

1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1

異性体SMILES

C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)C)C)(C)C

代替CAS番号

514-07-8

PubChem CID

92785

MeSH用語

taraxerone

分子量

424.70

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Sesterterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Sesterterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Scalarane sesterterpenoids
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Scalarane sesterterpenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as scalarane sesterterpenoids. These are sesterterpenoids with a structure based on the scalarane backbone. Scalarane is a tetracyclic compound, which is similar the homoandrostane with five methyl groups at the 4-, 4-, 8-, 17-, 17a-positions.
• External Descriptors: scalarane sesterterpenoid

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

関連ターゲット（人間）

MCF7 (126967 Activities)

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A549 (127892 Activities)

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KB (17409 Activities)

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関連ターゲット（非人間）

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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

Plasmodium falciparum (966862 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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L6 (7924 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: THF : 10 mg/mL (23.55 mM; Need ultrasonic) DMSO : <1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble or slightly soluble)
• 感度: Moisture and light sensitive
• 分子量: 424.700 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 424.371 Da
• Monoisotopic Mass: 424.371 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 831.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% 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 2–8 °C, protected from light, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 514-07-8, the molecular formula is C30H48O, and the molecular weight is 424.70 g/mol. InChIKey DBCAVZSSFGIHQZ-YLAYQGCQSA-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.