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

CAS: 22562-67-0 Cat. No.: I463947 Formule: C₂₃H₃₁ClO₄ Poids moléculaire: 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

Vue d’ensemble

Description

Natural product derived from fungal source.}

Specifications

Synonymes

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

Spécifications et pureté

≥95%(LC/MS-UV)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(LC/MS-UV)

Noms et identifiants

• Sourires canoniques: 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
• Isomères 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
• Poids moléculaire: 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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

RAW264.7 (28094 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO: 1mg/mL
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable
• Poids moléculaire: 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

Foire aux questions

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.