Isoferulic acid
Isoferulic acid structure
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Common Name | Isoferulic acid | ||
|---|---|---|---|---|
| CAS Number | 25522-33-2 | Molecular Weight | 194.184 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 410.2±35.0 °C at 760 mmHg | |
| Molecular Formula | C10H10O4 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 167.6±19.4 °C | |
Use of Isoferulic acidtrans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | trans-Isoferulic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2]. |
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| Related Catalog | |
| Target |
Human Endogenous Metabolite |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 410.2±35.0 °C at 760 mmHg |
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.184 |
| Flash Point | 167.6±19.4 °C |
| Exact Mass | 194.057907 |
| PSA | 66.76000 |
| LogP | 1.56 |
| Vapour Pressure | 0.0±1.0 mmHg at 25°C |
| Index of Refraction | 1.627 |
| InChIKey | QURCVMIEKCOAJU-HWKANZROSA-N |
| SMILES | COc1ccc(C=CC(=O)O)cc1O |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| RIDADR | NONH for all modes of transport |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Development of a targeted method for twenty-three metabolites related to polyphenol gut microbial metabolism in biological samples, using SPE and UHPLC-ESI-MS/MS.
Talanta 128 , 221-30, (2014) An increasing number of studies have concerned the profiling of polyphenol microbial metabolites, especially in urine or plasma, but only a few have regarded their accurate quantification. This study ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Inhibition of diphenolase activity of mushroom tyrosinase at 0.035 mM
Source: ChEMBL
Target: Polyphenol oxidase 2
External Id: CHEMBL892362
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| trans-3-(3-Hydroxy-4-methoxyphenyl)acrylic acid trans-3-Hydroxy-4-methoxycinnamic acid |
| (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
| 3-(3-Hydroxy-4-methoxyphenyl)acrylic acid |
| Isoferulic acid |
| EINECS 247-071-6 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of trans-Isoferulic acid? |
| A: Boiling point of trans-Isoferulic acid is 410.2±35.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of trans-Isoferulic acid? |
| A: SMILES notation of trans-Isoferulic acid is COc1ccc(C=CC(=O)O)cc1O. |
| Q: What is the English name of trans-Isoferulic acid? |
| A: The English name of trans-Isoferulic acid is trans-Isoferulic acid. |
| Q: What are the storage conditions for trans-Isoferulic acid? |
| A: Storage conditions for trans-Isoferulic acid: 2-8°C. |
| Q: What is the InChIKey of trans-Isoferulic acid? |
| A: InChIKey of trans-Isoferulic acid is QURCVMIEKCOAJU-HWKANZROSA-N. |
| Q: What English synonyms does trans-Isoferulic acid have? |
| A: English synonyms of trans-Isoferulic acid: trans-3-(3-Hydroxy-4-methoxyphenyl)acrylic acid trans-3-Hydroxy-4-methoxycinnamic acid, (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid, 3-(3-Hydroxy-4-methoxyphenyl)acrylic acid, Isoferulic acid, EINECS 247-071-6. |
| Q: What is the molecular formula of trans-Isoferulic acid? |
| A: Molecular formula of trans-Isoferulic acid is C10H10O4. |
| Q: What is the CAS number of trans-Isoferulic acid? |
| A: CAS number of trans-Isoferulic acid is 25522-33-2. |
| Q: What are the uses of trans-Isoferulic acid? |
| A: Main uses of trans-Isoferulic acid: trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2]. |
| Q: What is the LogP of trans-Isoferulic acid? |
| A: LogP of trans-Isoferulic acid is 1.56. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |