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Basic Description
| Synonyms | Skimmin | 93-39-0 | 7-Hydroxycoumarin glucoside | Skimmine | UMBELLIFERONE GLUCOSIDE | H072F03PQN | 7-Hydroxycoumarin-7-glucoside | 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one | UNII-H072F03PQN | NSC-267696 | Umbelliferone, beta-D-glucopy |
|---|---|
| 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
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
- Subclass Coumarin glycosides
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Class
Coumarins and derivatives
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Superclass
Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Coumarin glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarin glycosides |
| Alternative Parents | Phenolic glycosides Hexoses O-glycosyl compounds 1-benzopyrans Pyranones and derivatives Benzenoids Oxanes Heteroaromatic compounds Secondary alcohols Lactones Acetals Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin-7-o-glycoside - Coumarin o-glycoside - Phenolic glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Pyranone - Monosaccharide - Oxane - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Secondary alcohol - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. |
| External Descriptors | Not available |
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Associated Targets(non-human)
Pyricularia grisea (1253 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Entamoeba histolytica (2676 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Alternaria mali (94 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Athelia rolfsii (768 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
| IUPAC Name | 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
|---|---|
| INCHI | InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1 |
| InChIKey | VPAOSFFTKWUGAD-TVKJYDDYSA-N |
| Smiles | C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O |
| Isomeric SMILES | C1=CC(=CC2=C1C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| PubChem CID | 99693 |
| Molecular Weight | 324.28 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 324.280 g/mol |
|---|---|
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 324.085 Da |
| Monoisotopic Mass | 324.085 Da |
| Topological Polar Surface Area | 126.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 466.000 |
| 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 |
Solution Calculators
Reviews
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