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Synonym name: 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; Peruviol; Melaleucol; Humbertiol
Catalogue No.: BP0996
Cas No.: 7212-44-4
Formula: C15H26O
Mol Weight: 222.372
Botanical Source: A component of many essential oils
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.
Storage conditions：Short-term storage at 2~8℃, long-term storage at -20 ~ -80℃
20.2300
4.9085
4.9076
.0072
6.7292
7.5145
High
88.9985
3.4524
Yes
Yes
No
No
No
No
0.0
No
Yes
Yes
Yes
Nerolidol (CAS number: 7212-44-4) is a naturally occurring sesquiterpene compound widely distributed in the essential oils of various aromatic plants, such as neroli, lemongrass, turmeric, and certain pine plants. As a membrane-active sesquiterpene, neroli tertiary alcohol has attracted attention for its diverse bioactivity, especially demonstrating significant pharmacological potential in anti-cancer, anti-inflammatory, antibacterial, and antiparasitic fields. In recent years, with the deepening development of natural product pharmacology, the biological functions and mechanisms of neroli tertiary alcohol have gradually been clarified, especially with breakthrough progress in neuroprotection and anti-anxiety research. This paper aims to systematically review the chemical structure, origin, pharmacological activity, target effects, and druggability characteristics of neroli tertiary alcohol, explore its clinical application prospects, and provide a theoretical basis for subsequent research and new drug development.
Neroli tertiary alcohol is a sesquiterpene alcohol containing 15 carbon atoms, with a molecular formula of C15H26O and a molecular weight of 222.3720. Its structural feature is a linear allyl backbone containing two unsaturated double bonds and a tertiary alcohol functional group. Neroli tertiary alcohol has two geometric isomers: cis and trans, which differ slightly in natural origin and bioactivity.
In terms of physicochemical properties, neroli tertiary alcohol has a LogP value of 4.9085, indicating strong lipid solubility, which helps it penetrate biofilms and the blood-brain barrier (BBB), thereby playing a role in the central nervous system. Its polar surface area (TPSA) is only 20.23 Ų, further supporting its excellent membrane penetration capability. Low water solubility (0.0072 mg/mL) suggests that its distribution in the body mainly depends on lipid mediators. It is worth noting that neroli tert-t-ol did not show hERG channel inhibitory activity, and the Ames mutagenic test was negative, indicating high safety and promising drug potential.
Neroli tertiol is widely found in the essential oils of various aromatic plants, especially abundant in orange blossom (Citrus aurantium), lemongrass (Cymbopogon citratus), turmeric (Curcuma longa), and certain pine plants such as Pinus spp. Its content is greatly influenced by plant variety, growth environment, harvest time, and extraction process.
Traditional extraction methods mainly include distillation and solvent extraction. Steam distillation is the most commonly used industrial extraction technique, effectively separating volatile components to obtain high-purity neroli tertiethol. In recent years, supercritical CO2 extraction technology has gradually become a new trend in neroli tertiary alcohol extraction due to its environmental friendliness, strong selectivity, and gentle operation. Additionally, molecular distillation and high-performance liquid chromatography (HPLC) techniques are also used for the purification and quantitative analysis of neroli tertiary alcohol.
Neroli tertiary alcohol exhibits significant antitumor activity across various cancer models. In vitro studies have shown that neroli tertiary alcohol can induce tumor cell apoptosis and inhibit cell proliferation and migration. The mechanisms involved include cell cycle arrest, loss of mitochondrial membrane potential, and increased reactive oxygen species (ROS) production. It has inhibitory effects on breast cancer, liver cancer, and colorectal cancer cell lines. In vivo experiments, neroli tertiary alcohol significantly delayed tumor growth by regulating the tumor microenvironment and immune response.
Neroli tertiary alcohol can effectively inhibit the release of various inflammatory mediators, such as tumor necrosis factor-α (TNF-α), interleukin-6 (IL-6), and nitric oxide (NO). Its anti-inflammatory mechanism mainly works by inhibiting the nuclear factor κB (NF-κB) signaling pathway and reducing the expression of pro-inflammatory enzymes (COX-2, iNOS), thereby reducing inflammatory cell infiltration and alleviating tissue damage. Animal models show that neroli tertiol exerts protective effects in arthritis, enteritis, and skin inflammation.
Neroli tertiary alcohol exhibits inhibitory effects on various bacteria and fungi, especially sensitive to Gram-positive bacteria such as Staphylococcus aureus and Streptococcus. Its antibacterial mechanism involves cell membrane destruction and metabolic disorders. In addition, neroli tert-t-ol has a significant inhibitory effect on parasites such as bloodsuckers, nematodes, and malaria parasites, interfering with parasite life activities and reproduction, demonstrating the potential value of antiparasitic drug development.
Neroli tertiol can protect cells from lipid peroxidation, protein oxidation, and DNA damage, and is especially effective in protecting mouse hippocampal nerve cells. Its antioxidant capacity helps alleviate the pathological progression of neurodegenerative diseases. More importantly, neroli tertiol has shown positive effects in anti-anxiety effects. Animal behavioral studies have shown it can improve anxiety-like behaviors, suggesting its potential to regulate central nervous system function.
The multi-target mechanism of neroli tertiary alcohol forms the basis of its broad pharmacological activity. Regarding its anti-anxiety effects, the study reveals that its main targets include:
Additionally, neroli tertiol reduces nerve cell damage and enhances neuroprotective effects by regulating oxidative stress-related signaling pathways. During anticancer and anti-inflammatory processes, its mechanism involves regulating apoptosis-related proteins (such as the Bcl-2 family), inhibiting NF-κB and MAPK signaling pathways, and reducing the expression of pro-inflammatory factors.
neroli tert-tler has good druggable properties. Its molecular weight is 222.37, which fits the ideal range of Lipinski's rules. High lipophilubility (LogP about 4.9) facilitates oral absorption and cell membrane penetration, while low polarity surface area (TPSA 20.23) supports its excellent biofilm penetration capability. It has low water solubility, suggesting that appropriate formulation techniques should be used to improve its bioavailability.
Pharmacokinetic studies show that neroli tert-ol can effectively cross the blood-brain barrier and reach the central nervous system, making it suitable for treating neurological diseases. Metabolism in the body mainly occurs through the liver enzyme system, and the metabolites are safe. The hERG channel inhibition test was negative, indicating a lower risk of cardiotoxicity. Ames test results showed no mutagenicity and relatively high safety.
However, neroli tertiary alcohol's low water solubility and potential metabolic instability are major challenges in clinical development, which must be addressed through modern drug delivery systems such as nanocarriers, liposomes, or solid dispersions.
As a versatile natural product, neroli tertiol has broad clinical application potential. Its anticancer, anti-inflammatory, and antiparasitic activities provide new drug candidates for tumor treatment, chronic inflammatory diseases, and parasitic infections. Especially in neuroprotection and anti-anxiety fields, neroli tert-tler's high blood-brain barrier penetration and multi-target regulatory mechanism make it a strong contender for developing drugs for central nervous system diseases.
Future research should focus on pharmacokinetic optimization, formulation innovation, and clinical safety evaluation of neroli tertiary alcohol. At the same time, by integrating modern molecular biology and computational pharmacology techniques, the study deeply analyzes its mechanisms of action and target networks, providing theoretical support for precise drug design. In addition, the synergistic effects of neroli tert-tler and other drugs and its application in compound formulations are also worth further exploration.
As a natural sesquiterpene alcohol, neroli tertiol demonstrates broad prospects for pharmacological research and clinical applications due to its unique chemical structure and rich biological activity. Its multi-faceted effects in anticancer, anti-inflammatory, antibacterial, antiparasitic, and neuroprotective effects provide valuable resources for the development of natural product drugs. In the future, through systematic pharmacological mechanism research and druggability optimization, neroli tertiary alcohol is expected to become an important representative of the new generation of multifunctional natural drugs, promoting the integration of natural product pharmacology with modern drug development.
Shenshuai
Wenjing
Hedandan
