Gomisin K3 - 10mM in DMSO , CAS No.69363-14-0

CAS: 69363-14-0 Cat. No.: G425560 分子式: C₂₃H₃₀O₆ 分子量: 402.49

GRADE & PURITY 10mM in DMSO

Synonyms

Schisanhenol|(+)-Gomisin K3|69363-14-0|Schizanhenol|gomisin K3|UNII-80Y5907NIW|80Y5907NIW|NSC 330515|DTXSID40219452|NSC330515|NSC-330515|Gomisin-K3|DIBENZO(A,C)CYCLOOCTEN-1-OL, 5,6,7,8-TETRAHYDRO-2,3,10,11,12-PENTAMETHOXY-6,7-DIMETHYL-, (6S,7R,12AR)-|Dibe

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Maximum Absorption Wavelength:214(MeOH)nm

Specifications

同義語

Schisanhenol | (+)-Gomisin K3 | 69363-14-0 | Schizanhenol | gomisin K3 | UNII-80Y5907NIW | 80Y5907NIW | NSC 330515 | DTXSID40219452 | NSC330515 | NSC-330515 | Gomisin-K3 | DIBENZO(A,C)CYCLOOCTEN-1-OL, 5,6,7,8-TETRAHYDRO-2,3,10,11,12-PENTAMETHOXY-6,7-DIMETHYL-, (6S,7R,12AR)- | Dibe

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

• パブケム・シド: 528771866
• カノニカル・スマイル: CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)O)OC)OC
• IUPAC Name: (9S,10R)-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-3-ol
• InChIKey: FYSHYFPJBONYCQ-QWHCGFSZSA-N
• INCHI: 1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1
• 異性体SMILES: C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@H]1C)OC)OC)OC)O)OC)OC
• 分子量: 402.49
• Reaxy-Rn: 23489599
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23489599&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Tannins
• Subclass: Hydrolyzable tannins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrolyzable tannins
• Alternative Parents: Dibenzocyclooctadiene lignans Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hydrolyzable tannin - Dibenzocyclooctane lignan - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: 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

関連ターゲット（人間）

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

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H9 (1832 Activities)

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PBMC (10003 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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関連ターゲット（非人間）

Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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Hepatitis B virus (7925 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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作用メカニズム

化学的性質と物理的性質

• 感度: Heat Sensitive
• 比旋光度［α］: 73° (C=0.5,CHCl3)
• 融点（°C）: 130 °C
• 分子量: 402.500 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 402.204 Da
• Monoisotopic Mass: 402.204 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 516.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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