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Basic Description
| Synonyms | Patchouli alcohol | 5986-55-0 | Patchoulol | patchouli camphor | Patchoulic alcohol | patchoulanol | (-)-patchouli alcohol | (-)-patchoulol | HHH8CPR1M2 | solid | 1,6-Methanonaphthalen-1(2H)-ol, octahydro-4,8a,9,9-tetramethyl-, (1R,4S,4aS,6R,8aS)- | (1R,3R,6S,7S,8S)-2,2,6,8-te |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
- Subclass Alcohols and polyols
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Alcohols and polyols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tertiary alcohols |
| Alternative Parents | Cyclic alcohols and derivatives Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). |
| External Descriptors | tertiary alcohol - sesquiterpenoid - carbotricyclic compound |
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Associated Targets(Human)
HEK293 (82097 Activities)
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Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
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Klebsiella pneumoniae (43867 Activities)
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Staphylococcus aureus (210822 Activities)
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Acinetobacter baumannii (41033 Activities)
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Escherichia coli (133304 Activities)
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Cryptococcus neoformans (21258 Activities)
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Candida albicans (78123 Activities)
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (1R,3R,6S,7S,8S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-3-ol |
|---|---|
| INCHI | InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1 |
| InChIKey | GGHMUJBZYLPWFD-CUZKYEQNSA-N |
| Smiles | CC1CCC2(C(C3CCC2(C1C3)C)(C)C)O |
| Isomeric SMILES | C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)CC3)C)O |
| Molecular Weight | 222.37 |
| Reaxy-Rn | 2500518 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2500518&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 222.370 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 222.198 Da |
| Monoisotopic Mass | 222.198 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 321.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |
Citations of This Product
| 1. Qian-Qian Peng, Qi Guo, Cheng Chen, Ping Song, Yue-Tong Wang, Xiao-Jun Ji, Chao Ye, Tian-Qiong Shi. (2023) High-Level Production of Patchoulol in Yarrowia lipolytica via Systematic Engineering Strategies. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 71 (11): (4638–4645). |
| 2. Guangjuan Luo, Ying Lin, Shuting Chen, Ruiming Xiao, Jiaxin Zhang, Cheng Li, Anthony J. Sinskey, Lei Ye, Shuli Liang. (2023) Overproduction of Patchoulol in Metabolically Engineered Komagataella phaffii. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 71 (4): (2049–2058). |
| 3. Fu Xueqing, Zhang Fangyuan, Ma Yanan, Hassani Danial, Peng Bowen, Pan Qifang, Zhang Yuhua, Deng Zhongxiang, Liu Wenbo, Zhang Jixiu, Han Lei, Chen Dongfang, Zhao Jingya, Li Ling, Sun Xiaofen, Tang Kexuan. (2021) High-Level Patchoulol Biosynthesis in Artemisia annua L.. Frontiers in Bioengineering and Biotechnology, 8 |
| 4. Min Liu, Yang-Chen Lin, Jiao-Jiao Guo, Meng-Meng Du, Xinyi Tao, Bei Gao, Ming Zhao, Yushu Ma, Feng-Qing Wang, Dong-Zhi Wei. (2021) High-Level Production of Sesquiterpene Patchoulol in Saccharomyces cerevisiae. ACS Synthetic Biology, 10 (1): (158–172). |
| 5. Basharat Mehmood, Mohammad Akbar, Rahmat Ullah. (2020) Accelerated aging effect on high temperature vulcanized silicone rubber composites under DC voltage with controlled environmental conditions. ENGINEERING FAILURE ANALYSIS, 118 (104870). |
| 6. Bin Ma, Min Liu, Zhen-Hai Li, Xinyi Tao, Dong-Zhi Wei, Feng-Qing Wang. (2019) Significantly Enhanced Production of Patchoulol in Metabolically Engineered Saccharomyces cerevisiae. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 67 (31): (8590–8598). |
| 7. Jun-Feng Wang, Xiao-Lan Wang. (2014) Thermochemical properties of two mixed alkali-alkaline earth metal borates as non-linear optical materials: NaSrBO3 and KSr4B3O9. JOURNAL OF CHEMICAL THERMODYNAMICS, 71 (200). |
| 8. Guangjuan Luo, Ying Lin, Shupeng Ruan, Ruiming Xiao, Xinying Zhang, Shuli Liang. (2024) Dual cytoplasmic-mitochondrial engineering for improved patchoulol production in Komagataella phaffii. BIOCHEMICAL ENGINEERING JOURNAL, (109286). |
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