Ilicicolin C - ≥95%(LC/MS-UV) , CAS No.22562-67-0

CAS: 22562-67-0 Cat. No.: I463947 分子式: C₂₃H₃₁ClO₄ 分子量: 406.94

GRADE & PURITY ≥95%(LC/MS-UV)

Synonyms

ANTIBIOTIC LL-Z 1272.DELTA. | SCHEMBL22848070 | Ilicicolin C | 3-Chloro-4,6-dihydroxy-2-methyl-5-((2E)-3-methyl-5-((1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl)-2-pentenyl)benzaldehyde | AKOS040735287 | LL-Z 1272delta | MEGxm0_000259 | 3-chloro-4,6-dihydrox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Description

Natural product derived from fungal source.}

Specifications

同義語

ANTIBIOTIC LL-Z 1272.DELTA. | SCHEMBL22848070 | Ilicicolin C | 3-Chloro-4,6-dihydroxy-2-methyl-5-((2E)-3-methyl-5-((1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl)-2-pentenyl)benzaldehyde | AKOS040735287 | LL-Z 1272delta | MEGxm0_000259 | 3-chloro-4,6-dihydrox

仕様と純度

≥95%(LC/MS-UV)

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

純度

≥95%(LC/MS-UV)

名前と識別子

カノニカル・スマイル

CC1CCC(=O)C(C1(C)CCC(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)C

IUPAC Name

5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde

InChIKey

IJEHYEVNWOYGMS-WGUBEYSISA-N

INCHI

1S/C23H31ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,12,14,16,27-28H,7-11H2,1-5H3/b13-6+/t14-,16+,23+/m1/s1

異性体SMILES

C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)CC/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)C

分子量

406.94

Reaxy-Rn

23538775

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23538775&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: Resorcinols P-chlorophenols O-chlorophenols Meta cresols Benzoyl derivatives Toluenes Chlorobenzenes Aryl chlorides Vinylogous acids Cyclic ketones Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - 4-halophenol - 2-halophenol - M-cresol - 2-chlorophenol - Benzoyl - 4-chlorophenol - Resorcinol - Halobenzene - Chlorobenzene - Toluene - Phenol - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Vinylogous acid - Cyclic ketone - Ketone - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl 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

関連ターゲット（人間）

DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)

Discover Target: DHODH

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

MDA-MB-468 (9477 Activities)

Explore this target

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

関連ターゲット（非人間）

RAW264.7 (28094 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO: 1mg/mL
• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 分子量: 406.900 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 406.191 Da
• Monoisotopic Mass: 406.191 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 603.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

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 22562-67-0, the molecular formula is C23H31ClO4, and the molecular weight is 406.94 g/mol. InChIKey IJEHYEVNWOYGMS-WGUBEYSISA-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.