Leonurine - ≥98%(HPLC) , CAS No.24697-74-3

CAS: 24697-74-3 Cat. No.: L135393 분자식: C₁₄H₂₁N₃O₅ 분자량: 311.33 EC 번호: 683-174-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

CCG-267591 | SCHEMBL2685302 | AKOS015920020 | UNII-09Q5W34QDA | 1,4-BUTANEDIOL DIMETHACRYLATE [HSDB] | 4-guanidino-1-butanol syringate | DTXSID70179434 | SYRINGIC ACID .DELTA.-GUANIDINOBUTYL ESTER | Leonurine | LEONURINE [MI] | Benzoic acid, 4-hydroxy-3,5

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

product description：

Leonurine, an active alkaloid extracted from Traditional Chinese Medicine Herba leonuri, exerts several biological effects, such as antidiabetic, cardiovascular, and bovine mastitis protection.

Specifications

동의어

CCG-267591 | SCHEMBL2685302 | AKOS015920020 | UNII-09Q5W34QDA | 1,4-BUTANEDIOL DIMETHACRYLATE [HSDB] | 4-guanidino-1-butanol syringate | DTXSID70179434 | SYRINGIC ACID .DELTA.-GUANIDINOBUTYL ESTER | Leonurine | LEONURINE [MI] | Benzoic acid, 4-hydroxy-3,5

사양 및 순도

≥98%(HPLC)

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

504757508

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757508

정식 스마일

COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N

IUPAC Name

4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate

InChIKey

WNGSUWLDMZFYNZ-UHFFFAOYSA-N

INCHI

1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)

이성체 SMILES

COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N

WGK 독일

3

분자량

311.33

Reaxy-Rn

27312742

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27312742&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives
• Direct Parent: Gallic acid and derivatives
• Alternative Parents: p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Dimethoxybenzenes Methoxyphenols Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Carboxylic acid esters Guanidines Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Phenol - Carboxylic acid ester - Guanidine - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
• External Descriptors: trihydroxybenzoic acid

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(비인간)

Mus musculus (284745 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO (Slightly) ；≥31.1 mg/mL in DMSO; ≥2.82 mg/mL in EtOH with ultrasonic; ≥3 mg/mL in H2O with ultrasonic
• 감도: Moisture sensitive
• 녹는점(°C): >157°C (dec.)
• 분자량: 311.330 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 311.148 Da
• Monoisotopic Mass: 311.148 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 359.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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