Coriandrone E
PubChem CID: 131750935
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| Compound Synonyms | Coriandrone E, 7,8-Dihydro-8-hydroxy-4-methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one |
|---|---|
| Topological Polar Surface Area | 68.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Description | Constituent of Coriandrum sativum (coriander) (Umbelliferae). Coriandrone E is found in coriander and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-4-methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one |
| Nih Violation | False |
| Class | Benzopyrans |
| Xlogp | 1.5 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | 2-benzopyrans |
| Molecular Formula | C13H12O5 |
| Inchi Key | FDLXWTAXBWPMFB-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 7,8-Dihydro-8-hydroxy-4-methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one |
| Compound Name | Coriandrone E |
| Kingdom | Organic compounds |
| Exact Mass | 248.068 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 248.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 248.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C13H12O5/c1-6-11(14)8-5-9-7(3-4-17-9)12(16-2)10(8)13(15)18-6/h3-6,11,14H,1-2H3 |
| Smiles | CC1C(C2=CC3=C(C=CO3)C(=C2C(=O)O1)OC)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 2-benzopyrans |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all