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Isoscopoletin - 98%, high purity , CAS No.776-86-3

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
I414375
Grouped product items
SKU Size
Availability
 Price Qty
I414375-5mg
5mg
3
$78.90
I414375-10mg
10mg
3
$127.90
I414375-25mg
25mg
3
$288.90
I414375-50mg
50mg
2
$518.90
I414375-100mg
100mg
2
$933.90
I414375-250mg
250mg
2
$2,099.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
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Basic Description

Synonyms AC-35017 | 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy- | C18079 | FT-0722943 | SCHEMBL2790887 | SR-05000002254-2 | BDBM50206008 | A865173 | s9255 | SR-05000002254 | HY-N1365 | EINECS 212-282-4 | NCGC00163577-01 | 7-Methoxyesculetin | 6-Hydroxy-7-methoxy-2
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms Isoscopoletin (7-Methoxyesculetin) is a member of the class of compounds known as hydroxycoumarins. Isoscopoletin can be found in coriander and eggplant, which makes isoscopoletin a potential biomarker for the consumption of these food products.
Storage Temp Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Information

Isoscopoletin (7-Methoxyesculetin) is a member of the class of compounds known as hydroxycoumarins. Isoscopoletin can be found in coriander and eggplant, which makes isoscopoletin a potential biomarker for the consumption of these food products.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Coumarins and derivatives
Subclass Hydroxycoumarins
Intermediate Tree Nodes Not available
Direct Parent Hydroxycoumarins
Alternative Parents 1-benzopyrans  Anisoles  Pyranones and derivatives  Alkyl aryl ethers  1-hydroxy-2-unsubstituted benzenoids  Heteroaromatic compounds  Lactones  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Hydroxycoumarin - Benzopyran - 1-benzopyran - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.
External Descriptors hydroxycoumarin

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TYR Tclin Tyrosinase (717 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
XDH Tclin Xanthine dehydrogenase (1038 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AKR1B1 Tclin Aldose reductase (1404 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SORD Tchem Sorbitol dehydrogenase (133 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PANC-1 (6144 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POLK Tbio DNA polymerase kappa (8653 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Ca7 Carbonic anhydrase VII (3 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Ca13 Carbonic anhydrase XIII (322 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504754460
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504754460
IUPAC Name 6-hydroxy-7-methoxychromen-2-one
INCHI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
InChIKey SYTYLPHCLSSCOJ-UHFFFAOYSA-N
Smiles COC1=C(C=C2C=CC(=O)OC2=C1)O
Isomeric SMILES COC1=C(C=C2C=CC(=O)OC2=C1)O
Molecular Weight 192.17
Reaxy-Rn 157280
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=157280&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.

7 results found

Lot Number Certificate Type Date Item
C2512139 Certificate of Analysis Nov 04, 2022 I414375
C2304671 Certificate of Analysis Nov 04, 2022 I414375
C2304678 Certificate of Analysis Nov 04, 2022 I414375
C2304637 Certificate of Analysis Nov 04, 2022 I414375
C2306329 Certificate of Analysis Nov 04, 2022 I414375
C2306334 Certificate of Analysis Nov 04, 2022 I414375
C2304676 Certificate of Analysis Nov 04, 2022 I414375

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 38 mg/mL (197.74 mM);    
Sensitivity light sensitive
Molecular Weight 192.170 g/mol
XLogP3 1.500
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 192.042 Da
Monoisotopic Mass 192.042 Da
Topological Polar Surface Area 55.800 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 261.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Solution Calculators

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