Coriandrone A
PubChem CID: 131752231
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| Compound Synonyms | Coriandrone A, 139906-03-9, 2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one, CHEBI:174777, AKOS040735885, 2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3,6,7-tetrahydrouro[3,2-h]isochromen-9-one |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | QBALHQFWXZYTDM-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | Coriandrone a |
| Heavy Atom Count | 21.0 |
| Compound Name | Coriandrone A |
| Kingdom | Organic compounds |
| Description | Constituent of Coriandrum sativum (coriander). Coriandrone A is found in coriander and herbs and spices. |
| Exact Mass | 292.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 292.33 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one |
| Total Atom Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Benzopyrans |
| Inchi | InChI=1S/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(16(2,3)18)21-14(10)13(9)15(17)20-8/h6,8,12,18H,5,7H2,1-4H3 |
| Smiles | CC1CC2=CC(=C3CC(OC3=C2C(=O)O1)C(C)(C)O)OC |
| Xlogp | 2.2 |
| Superclass | Organoheterocyclic compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | 2-benzopyrans |
| Taxonomy Direct Parent | 2-benzopyrans |
| Molecular Formula | C16H20O5 |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all