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| Synonyms | BSPBio_001768 | UNII-3N789LD38N | KBio2_001153 | KBio3_000928 | NCGC00095444-02 | DivK1c_006228 | ACon1_000507 | KBioSS_001153 | SPBio_000489 | SCHEMBL2120500 | 8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one | KBio2_006289 | Q27108571 | Spectrum2_000365 | BRD |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Protected from light,Store at -20°C,Argon charged |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Pyranocoumarins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear pyranocoumarins |
| Alternative Parents | Pyranochromenes 2,2-dimethyl-1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Linear pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as linear pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) linearly fused to a coumarin moiety. |
| External Descriptors | coumarins |
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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 | 2,2-dimethylpyrano[3,2-g]chromen-8-one |
|---|---|
| INCHI | InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3 |
| InChIKey | QOTBQNVNUBKJMS-UHFFFAOYSA-N |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C |
| Isomeric SMILES | CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C |
| PubChem CID | 65188 |
| Molecular Weight | 228.3 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 12, 2024 | X329524 | |
| Certificate of Analysis | Apr 12, 2024 | X329524 | |
| Certificate of Analysis | Apr 12, 2024 | X329524 | |
| Certificate of Analysis | Apr 12, 2024 | X329524 | |
| Certificate of Analysis | Apr 12, 2024 | X329524 | |
| Certificate of Analysis | Apr 12, 2024 | X329524 | |
| Certificate of Analysis | Apr 12, 2024 | X329524 | |
| Certificate of Analysis | Apr 12, 2024 | X329524 |
| Sensitivity | Moisture sensitive;light sensitive |
|---|---|
| Molecular Weight | 228.240 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 228.079 Da |
| Monoisotopic Mass | 228.079 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 394.000 |
| 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 |