Dihydrocoriandrin
PubChem CID: 14134311
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| Compound Synonyms | Dihydrocoriandrin, 116383-99-4, 4-Methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one, CHEBI:174188, DTXSID201316347, AKOS040736240, 4-methoxy-7-methyl-7,8-dihydrouro[2,3-g]isochromen-5-one |
|---|---|
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Description | Constituent of Coriandrum sativum (coriander). Dihydrocoriandrin is found in coriander and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one |
| Nih Violation | False |
| Class | Benzopyrans |
| Xlogp | 2.6 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | 2-benzopyrans |
| Molecular Formula | C13H12O4 |
| Inchi Key | LJCCQQNTPLPSNX-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | Dihydrocoriandrin |
| Substituent Name | 2-benzopyran, Benzofuran, Anisole, Alkyl aryl ether, Benzenoid, Heteroaromatic compound, Furan, Lactone, Carboxylic acid ester, Oxacycle, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | Dihydrocoriandrin |
| Kingdom | Organic compounds |
| Exact Mass | 232.074 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 232.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 232.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C13H12O4/c1-7-5-8-6-10-9(3-4-16-10)12(15-2)11(8)13(14)17-7/h3-4,6-7H,5H2,1-2H3 |
| Smiles | CC1CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC |
| 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