Cycloartenyl ferulate , CAS No.21238-33-5

CAS: 21238-33-5 Cat. No.: C649653 Formula: C₄₀H₅₈O₄ Peso molecolare: 602.89 Numero EC: 244-285-1

Synonyms

NCGC00181756-01 | 9,19-Cyclo-9beta-lanost-24-en-3beta-ol 4-hydroxy-3-methoxycinamate | Hi-Z (TN) | Cycloartenol, trans-ferulate | Gamma oryzanol [JAN] | Cycloartenol ferulic acid ester | Oryzanol A | DSSTox_GSID_21084 | gamma Oryzanol (JAN) | ORYZANOL A [

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Cycloartenyl ferulate (Cycloartenol ferulate) is one of the typical triterpene alcohols and possesses several biological activities including anti-oxidative activity, antiallergic activity, anti-inflammatory and anticancer activities.

Form:Solid

Specifications

Sinonimi

NCGC00181756-01 | 9,19-Cyclo-9beta-lanost-24-en-3beta-ol 4-hydroxy-3-methoxycinamate | Hi-Z (TN) | Cycloartenol, trans-ferulate | Gamma oryzanol [JAN] | Cycloartenol ferulic acid ester | Oryzanol A | DSSTox_GSID_21084 | gamma Oryzanol (JAN) | ORYZANOL A [

Meccanismi biochimici e fisiologici

Cycloartenyl ferulate (Cycloartenol ferulate) is one of the typical triterpene alcohols and possesses several biological activities including anti-oxidative activity, antiallergic activity, anti-inflammatory and anticancer activities.

Condizioni di conservazione di stoccaggio

Protected from light,Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Sorrisi canonici: CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C
• IUPAC Name: [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• InChIKey: FODTZLFLDFKIQH-FSVGXZBPSA-N
• INCHI: 1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1
• Isomeri SMILES: C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)C
• CAS alternativo: 21238-33-5,11042-64-1,286011-27-6
• Peso molecolare: 602.89
• Reaxy-Rn: 38977640
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38977640&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Cycloartanols and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Cycloartanols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloartanols and derivatives
• Alternative Parents: Triterpenoids Steroid esters Coumaric acids and derivatives Cinnamic acid esters Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Enoate esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Cycloartanol-skeleton - Cycloartane-skeleton - 9b,19-cyclo-lanostane-skeleton - Triterpenoid - Steroid ester - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - Methoxyphenol - Phenoxy compound - Styrene - Anisole - Phenol ether - Methoxybenzene - Fatty acid ester - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety.
• 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

Obiettivi associati (umani)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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MCF7 (126967 Activities)

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Raji (5516 Activities)

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Obiettivi associati (non umani)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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Human gammaherpesvirus 4 (1538 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 602.900 g/mol
• XLogP3: 12.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 602.434 Da
• Monoisotopic Mass: 602.434 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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