marmesin structure
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Common Name | marmesin | ||
|---|---|---|---|---|
| CAS Number | 13849-08-6 | Molecular Weight | 246.259 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 434.0±45.0 °C at 760 mmHg | |
| Molecular Formula | C14H14O4 | Melting Point | 189-191℃ | |
| MSDS | N/A | Flash Point | 168.0±22.2 °C | |
Use of marmesinS-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. |
| Name | (+)-marmesin |
|---|---|
| Synonym | More Synonyms |
| Description | S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. |
|---|---|
| Related Catalog | |
| Target |
COX-2 5-Lipoxygenase |
| In Vitro | S-(+)-Marmesin ((+)-marmesin) shows affinity at the recombinant psoralen synthase, with a Km of 1.5 ± 0.5 μM, exceeding the substrate affinities of other enzymes of the CYP71 subfamily involved in plant secondary metabolism[1]. S-(+)-Marmesin ((+)-marmesin) shows COX-2/5-LOX dual inhibitory activity[2]. |
| References |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 434.0±45.0 °C at 760 mmHg |
| Melting Point | 189-191℃ |
| Molecular Formula | C14H14O4 |
| Molecular Weight | 246.259 |
| Flash Point | 168.0±22.2 °C |
| Exact Mass | 246.089203 |
| PSA | 59.67000 |
| LogP | 1.69 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.611 |
| InChIKey | FWYSBEAFFPBAQU-LBPRGKRZSA-N |
| SMILES | CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1 |
| Storage condition | -20°C |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
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Name: Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate at 500 uM after...
Source: ChEMBL
Target: Beta-secretase 1
External Id: CHEMBL1936882
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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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Name: Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 mins b...
Source: ChEMBL
Target: Beta-secretase 1
External Id: CHEMBL1936881
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Name: Inhibition of aromatase from human placental microsomes
Source: ChEMBL
Target: Aromatase
External Id: CHEMBL949646
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Name: Cytotoxicity against human SK-MEL-2 cells assessed as growth inhibition after 72 hrs ...
Source: ChEMBL
Target: SK-MEL-2
External Id: CHEMBL3122532
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Name: Antifungal activity against Candida albicans B311 ATCC 90028 by antimicrobial suscept...
Source: ChEMBL
Target: Candida albicans
External Id: CHEMBL986649
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Name: Cytotoxicity against human CAKI-1 cells assessed as growth inhibition after 72 hrs by...
Source: ChEMBL
Target: CAKI-1
External Id: CHEMBL3122534
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Name: Spectrum HTS for Inhibitors of Aerobactin Synthetase IucA
Source: 23265
Target: IucA Synthetase from hypervirulent Klebsiella pneumoniae hvKP1
External Id: IucA Pilot Assay Spectrum Library
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Name: Cytotoxicity against human 1A9 cells assessed as growth inhibition after 72 hrs by SR...
Source: ChEMBL
Target: 1A9
External Id: CHEMBL3122535
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Name: Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimo...
Source: ChEMBL
Target: Solute carrier organic anion transporter family member 1B3
External Id: CHEMBL3039491
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| 2-(2-Hydroxy-2-propanyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one |
| 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one |
| (7S)-marmesin |
| marmesin |
| 2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one |
| 2-(1-Hydroxy-1-methyl-ethyl)-2,3-dihydro-furo[3,2-g]chromen-7-one |
| S(+)-Marmesin |
| 2-(1-Hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one |
| (2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one |
| S-(+)-Marmesin |