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Basic Description
| Synonyms | H0268 | Vanillomandelic acid | DL-vanillomandelic acid | HMS3371D20 | (+/-)-3-METHOXY-4-HYDROXYMANDELIC ACID | (y)-Vanillylmandelic acid | EINECS 200-224-0 | HMS2235H06 | Vanillomandelc acid | H 0131 | HMS3261J06 | AKOS015851906 | DL-4-HYDROXY-3-METHOXYMA |
|---|---|
| Specifications & Purity | Moligand™, ≥98% |
| Biochemical and Physiological Mechanisms | Epinephrine and norepineprine metabolite. |
| Storage Temp | Store at 2-8°C,Argon charged |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | Moligand™ |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Phenols
- Subclass Methoxyphenols
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Class
Phenols
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Methoxyphenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methoxyphenols |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
| External Descriptors | aromatic ether - phenols - 2-hydroxy monocarboxylic acid |
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Associated Targets(Human)
HEK293 (82097 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
FEN1
Tchem
Flap endonuclease 1 (12055 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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EHMT2
Tchem
Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
BLM
Tchem
Bloom syndrome protein (4248 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
ampC
Beta-lactamase AmpC (62480 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Cruzipain (33337 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Npsr1
Neuropeptide S receptor (260 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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pfk
6-phospho-1-fructokinase (7870 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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TGR
Thioredoxin glutathione reductase (28579 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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fba
Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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
| Pubchem Sid | 504750481 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750481 |
| IUPAC Name | 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid |
| INCHI | InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13) |
| InChIKey | CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
| Smiles | COC1=C(C=CC(=C1)C(C(=O)O)O)O |
| Isomeric SMILES | COC1=C(C=CC(=C1)C(C(=O)O)O)O |
| WGK Germany | 3 |
| Molecular Weight | 198.17 |
| Beilstein | 2213227 |
| Reaxy-Rn | 2213227 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213227&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2507052 |
Certificate of Analysis | Jun 19, 2022 | H113502 |
| I2215557 |
Certificate of Analysis | Jun 19, 2022 | H113502 |
| I2215558 |
Certificate of Analysis | Jun 19, 2022 | H113502 |
| I2215559 |
Certificate of Analysis | Jun 19, 2022 | H113502 |
| I2215610 |
Certificate of Analysis | Jun 19, 2022 | H113502 |
| C2226512 |
Certificate of Analysis | Apr 24, 2022 | H113502 |
| C2226084 |
Certificate of Analysis | Apr 24, 2022 | H113502 |
| C2226085 |
Certificate of Analysis | Apr 24, 2022 | H113502 |
| C2226087 |
Certificate of Analysis | Apr 24, 2022 | H113502 |
| C2507044 |
Certificate of Analysis | Apr 24, 2022 | H113502 |
Chemical and Physical Properties
| Solubility | DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly, Sonicated) |
|---|---|
| Sensitivity | air sensitive |
| Melt Point(°C) | 133-134° dec. |
| Molecular Weight | 198.170 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 198.053 Da |
| Monoisotopic Mass | 198.053 Da |
| Topological Polar Surface Area | 87.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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. Xin Huang, Rui Wang, Yikai Wang, Changbao Chen, Shuying Liu. (2023) Investigation on property differences of ginseng and American ginseng by spatial metabolomics of neurochemicals with desorption electrospray ionization mass spectrometry imaging. JOURNAL OF ETHNOPHARMACOLOGY, 303 (116006). |
| 2. Cheng Zenghui, Wang Chunpeng, Yu Juan, Liu Meihong, Wang Jifu, Zhang Daihui, Chu Fuxiang. (2021) Rosin-derived porous microspheres with robust selective cationic dye adsorption. IRANIAN POLYMER JOURNAL, 30 (10): (1041-1052). |
| 3. Yue Zhang, Linfang Li, Ye Gao, Xinnan Wang, Lei Sun, Wei Ji, Yukihiro Ozaki. (2020) Nitrosonaphthol reaction-assisted SERS assay for selective determination of 5-hydroxyindole-3-acetic acid in human urine. ANALYTICA CHIMICA ACTA, 1134 (34). |
| 4. Kuangyi Zou, Qianming Li, Dan Li, Yiding Jiao, Lie Wang, Luhe Li, Jiacheng Wang, Yiran Li, Rui Gao, Fangyan Li, Er He, Tingting Ye, Wentao Tang, Jie Song, Jiang Lu, Xusong Li, Hanting Zhang, Xinyin Cao, Ye Zhang. (2024) A Highly Selective Implantable Electrochemical Fiber Sensor for Real-Time Monitoring of Blood Homovanillic Acid. ACS Nano, |
| 5. Yifei Ma, Lijie Zhang, Hong Yang, Shanshan Zhu, Jinhua Liu. (2025) Imidazole-triggered in situ fluorescence reaction system for quantitatively determination of dopamine from multiple sources. TALANTA, (127975). |
| 6. Jie Fu, Jiawang Wang, Yihong Ding, Shouzhe Deng, Cherie S. Tan, Shuang Li. (2025) Wearable physicochemical-sensing system integrated with diaper for pheochromocytoma monitoring. SENSORS AND ACTUATORS B-CHEMICAL, 433 (137520). |
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