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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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O696202-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$520.90
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| Specifications & Purity | analytical standard, ≥98% |
|---|---|
| Grade | analytical standard |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Furanocoumarins |
| Intermediate Tree Nodes | Linear furanocoumarins |
| Direct Parent | Psoralens |
| Alternative Parents | 1-benzopyrans Benzofurans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | 9-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one |
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| INCHI | InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3 |
| InChIKey | CTJZWFCPUDPLME-UHFFFAOYSA-N |
| Smiles | CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C |
| Isomeric SMILES | CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C |
| Alternate CAS | 35740-18-2 |
| NSC Number | 92228 |
| Reaxy-Rn | 274917 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=274917&ln= |
| Molecular Weight | 286.280 g/mol |
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| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 286.084 Da |
| Monoisotopic Mass | 286.084 Da |
| Topological Polar Surface Area | 61.200 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 471.000 |
| 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 |