Synonym name: Biacangelicol;61046-59-1
Catalogue No.: BP0299
Cas No.: 26091-79-2
Formula: C₁₇H₁₆O₆
Mol Weight: 316.309
Botanical Source:

Purity: 95%~99%
Analysis Method: HPLC-DAD or/and HPLC-ELSD
Identification Method: Mass, NMR
Packing: Brown vial or HDPE plastic bottle
Can be supplied from milligrams to grams.

For Reference Standard and R&D, Not for Human Use Directly.
Inquire for bulk scale.

HPLC of Byakangelicol

Storage conditions：Short-term storage at 2~8℃, long-term storage at -20 ~ -80℃

Introduction/Overview

Natural products, as an important source of drug discovery, have always played a pivotal role in new drug development. Byakangelicol, a white triol compound isolated from the traditional Chinese medicine Angelica dahurica, has attracted widespread attention in recent years due to its remarkable anti-inflammatory and anti-allergic activities. Angelica dahurica, a classic herb in traditional Chinese medicine, is mainly used to dispel wind and cold, unblock the orifices, and relieve pain. Its active ingredients are diverse, and White Angelica Brain is one of its representative components, demonstrating unique pharmacological value. This paper aims to systematically review the chemical structure, physicochemical properties, plant origin, extraction methods, pharmacological activity, and mechanism of action of White Angelica brain, and, combined with druggability evaluation and pharmacokinetics, explores its clinical application prospects and future research directions.

Chemical structure and physicochemical properties

Byakangelicol, molecular formula C_17H_20O_6, molecular weight 300.31, CAS number 26091-79-2. Its structure is a white triol compound, containing polyhydroxyl groups and phenolic functional groups, which impart excellent bioactivity. The LogP value of white angelica brain was 2.81, indicating moderate lipid solubility, which is beneficial for cell membrane penetration and bioavailability. The polar surface area (TPSA) is 77.58 Ų, indicating a balance between molecular polarity and hydrophobicity, which aids in binding to biological targets. Its number of hydrogen bond acceptors is 6, suggesting that it may form a stable hydrogen bond network during interactions with protein targets.

From the perspective of drug metabolism and safety, White Angelica brain has a high blood-brain barrier penetration capacity, indicating low potential central nervous system activity or toxicity risk. Toxicological evaluation showed no hepatotoxicity or cardiotoxicity, and did not inhibit hERG channels. The Ames test was negative, indicating good safety and low genotoxicity risk. These physicochemical and safety parameters lay a solid foundation for further drug development of White Angelica Brain.

Plant Origins and Extraction Methods

White Angelica brain mainly comes from Angelica dahurica, a plant of the Apiaceae family, which is widely distributed in East Asia, especially in China, Korea, and Japan, where it is extensively used in traditional medicine. The root of Angelica dahurica contains abundant volatile oils, coumarins, and polyphenols. Among them, white angelica brain is one of the important components of white triol, showing significant biological activity.

Traditional methods for extracting white angelica brain mostly use solvent extraction combined with chromatography separation technology. Generally, dried Angelica dahurica root is used as raw material, extracted by reflux with ethanol or methanol. After concentration, the extract is purified by silica gel column chromatography or high-performance liquid chromatography (HPLC). In recent years, the application of ultrasound-assisted extraction and supercritical CO_2 extraction technologies has improved the extraction efficiency and purity of white angelica brain. Additionally, the selective adsorption combined with molecular blot technology provides new ideas for efficient separation of white angelica brain.

The optimization of the extraction process not only improves the yield of white angelica brain but also ensures the stability of its active components, providing a reliable material foundation for subsequent pharmacological research and drug formulation development.

Pharmacological activity research

The pharmacological activity of white angelica brain mainly focuses on anti-inflammatory and anti-allergic properties. In vitro studies have shown that white angelica brain can significantly inhibit the release of prostaglandin E2 (PGE2) induced by interleukin-1β (IL-1β) in the human lung adenocarcinoma cell line A549. This mechanism of action is mainly achieved by inhibiting the expression and activity of cyclooxygenase-2 (COX-2), reducing the synthesis of inflammatory mediators and thus exerting anti-inflammatory effects.

In addition, white angelica brain shows potential regulatory effects in anti-allergic responses. Its targets include key molecules in allergic reactions, such as lipoxygenase 5 (ALOX5), histamine H1 receptor (HRH1), interleukin-4 (IL4), interleukin-5 (IL5), interleukin-13 (IL-13), high-affinity IgE receptor α chain (FCER1A), thromboxane A2 receptor (TBXA2R), signaling and transcription activator factor 6 (STAT6), and thymic stromal lymphopoietin-producing hormone (TSLP). Regulation of these targets helps suppress the release of allergens and activate immune cells, reducing airway inflammation and allergic symptoms.

Animal model studies further confirmed the protective effect of white angelica brain in airway inflammation, characterized by reducing airway hyperresponsiveness, inhibiting inflammatory cell infiltration, and lowering inflammatory factor levels. Its dual anti-inflammatory and anti-allergic activities make it a potential therapeutic candidate for respiratory diseases, especially asthma and allergic rhinitis.

Mechanism of action and molecular targets

The main mechanism of action of White Angelica brain is the regulation of inflammatory signaling pathways. By inhibiting COX-2 expression and reducing PGE2 production, White Angelica brain effectively blocks the synthesis and release of inflammatory mediators, alleviating inflammatory responses in cells and tissues. As a key enzyme in inflammatory responses, COX-2 is closely related to overexpression in various inflammatory diseases. The inhibitory effect of white angelica brain provides an important target for anti-inflammatory therapy.

In terms of anti-allergy mechanisms, white angelica brain works by regulating multiple key molecules and signaling pathways. ALOX5 is a fatty acid metabolism enzyme involved in leukotriene synthesis. Its regulation by white angelica brain helps inhibit the production of inflammatory mediators. HRH1 receptors mediate allergic reactions to histamine, and modulating its activity can alleviate allergy symptoms. Cytokines such as IL4, IL5, and IL13 play core roles in Th2-type immune responses, affecting the differentiation and activation of immune cells. White Angelica brain inhibits allergic inflammation by downregulating the expression of these factors. As a high-affinity IgE receptor, FCER1A's regulation of activity helps block IgE-mediated allergic reactions. The STAT6 signaling pathway is a key IL4/IL13-mediated signaling pathway involved in regulating allergic inflammatory responses. The effect of white angelica brain on STAT6 further reveals its immunomodulatory function. TSLP, as a pro-inflammatory factor secreted by epithelial cells, plays an important role in allergic inflammation; its inhibition helps alleviate airway inflammation.

In summary, White Angelica brain regulates inflammation and immune responses through multi-target and multi-pathway synergistic effects, demonstrating good anti-inflammatory and anti-allergic potential.

Druggability evaluation and pharmacokinetics

The druggability evaluation of White Angelica brain indicates that it has promising potential for drug development. Its molecular weight is moderate (300.31), conforming to the Lipinski rule, which is beneficial for oral absorption. A LogP value of 2.81 indicates moderate lipid solubility, ensuring membrane penetration while avoiding solubility issues caused by excessive lipid solubility. TPSA was 77.58 Ų, indicating moderate polarity, which is beneficial for binding to biological targets and internal distribution.

In terms of safety, white angelica brain has no hepatotoxicity or cardiotoxicity, does not inhibit hERG channels, and the Ames test was negative, indicating a low genotoxicity risk and good safety. High blood-brain barrier penetration suggests it may have central nervous system effects, but potential central toxicity should also be considered.

Currently, pharmacokinetic research on White Angelica brain is limited. Preliminary data indicate that it has good oral bioavailability, is widely distributed in the body, and its metabolic pathways may involve hepatic enzyme systems, but specific metabolites and excretion mechanisms still require further study. Future systematic pharmacokinetic and toxicology research will provide critical support for their clinical development.

Prospects and outlooks for clinical applications

Based on the significant activity of white angelica brain in anti-inflammatory and anti-allergic effects, its application prospects in airway inflammation-related diseases are broad. Asthma, chronic obstructive pulmonary disease (COPD), and allergic rhinitis are all closely related to airway inflammation and abnormal immune responses. White Angelica brain regulates inflammation and immune responses through multiple targets and is expected to become a novel therapeutic drug.

In addition, White Angelica Brain has good safety and good druggability, making it suitable for further preclinical pharmacodynamics, toxicology, and pharmacokinetic studies. Combining modern drug formulation technologies, such as nanocarriers and sustained-release systems, is expected to improve bioavailability and targeting, enhancing therapeutic effects.

Future research should focus on in-depth analysis of the mechanisms of white angelica brain, especially its effects on immune cell function regulation and signaling pathways. At the same time, systematic evaluation of preclinical animal models and the initiation of early clinical trials will lay the foundation for their clinical translation. By combining multi-omics techniques and systemic pharmacology approaches, we explore its potential applications in various inflammatory and immune-related diseases, promoting the transformation of white angelica brain from a natural product into a clinical drug.

Conclusion

As an important active ingredient in Angelica dahurica, White Angelica Brain demonstrates promising drug development potential due to its unique chemical structure and multi-target anti-inflammatory and anti-allergic effects. By inhibiting COX-2 and modulating various immune-inflammatory targets, it effectively alleviates airway inflammation, offering broad clinical application prospects. In the future, it is necessary to strengthen systematic pharmacological research, pharmacokinetics, and safety evaluation of White Angelica brain to promote its clinical translational progress. In-depth research on White Angelica Brain not only enriches the theoretical framework in the field of natural product pharmacology, but also provides important scientific basis and technical support for the development of novel anti-inflammatory and anti-allergy drugs.