Macelignan - ≥98%(HPLC) , CAS No.107534-93-0

CAS: 107534-93-0 Cat. No.: M165815 분자식: C₂₀H₂₄O₄ 분자량: 328.4

등급 & 순도 ≥98%(HPLC)

Synonyms

(+)-Anwulignan;Anwuligan | AKOS037645016 | (+)-Anwulignan | 4-((2S,3R)-4-(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol | s9146 | Q6723225 | 8PP3614Z43 | UNII-8PP3614Z43 | (8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'-(4-hydroxy-3-methoxyphenyl)

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

Macelignan is a naturally occurring compound that has scavenging effects on free-radicals and inhibits prostaglandin. It also exhibits antioxidant and anti-inflammatory effects.

사양

동의어

(+)-Anwulignan;Anwuligan | AKOS037645016 | (+)-Anwulignan | 4-((2S,3R)-4-(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol | s9146 | Q6723225 | 8PP3614Z43 | UNII-8PP3614Z43 | (8R,8'S)-7-(3,4-methylenedioxyphenyl)-7'-(4-hydroxy-3-methoxyphenyl)

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

Macelignan is a neuroprotective lingan isolated from nutmeg (Myristica fragrans) that protects dopaminergic neurons from inflammatory degeneration. Apparently, the neuroprotective effect of macelignan is mediated by PPARγ activation and arginase-1 express

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

504765441

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765441

정식 스마일

CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC

IUPAC Name

4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol

InChIKey

QDDILOVMGWUNGD-UONOGXRCSA-N

INCHI

1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1

이성체 SMILES

C[C@H](CC1=CC2=C(C=C1)OCO2)[C@@H](C)CC3=CC(=C(C=C3)O)OC

분자량

328.4

Reaxy-Rn

5597321

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5597321&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • 분류 Dibenzylbutane lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• 분류: Dibenzylbutane lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzylbutane lignans
• Alternative Parents: Methoxyphenols Phenylpropanes Benzodioxoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzylbutane lignan skeleton - Methoxyphenol - Benzodioxole - Phenylpropane - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Acetal - Ether - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane 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

관련 대상(인간)

APP Tclin Amyloid-beta A4 protein (8510 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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ATM Tchem Serine-protein kinase ATM (4198 Activities)

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MCF7 (126967 Activities)

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HepG2 (196354 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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CRHR2 Tchem Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein (4148 Activities)

Discover Target: CRHR2

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관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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vpr Aberrant vpr protein (14595 Activities)

Discover Target: vpr

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작용 메커니즘

화학 및 물리적 특성

• 용해성: solubility DMSO: 20 mg/mL, clear
• 분자량: 328.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 328.167 Da
• Monoisotopic Mass: 328.167 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 388.000
• 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