Coriandrone B
PubChem CID: 131752232
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| Compound Synonyms | Coriandrone B, CHEBI:174778, 3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4,7,8-tetrahydropyrano[4,3-h]chromen-10-one |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Description | Constituent of Coriandrum sativum (coriander). Coriandrone B is found in coriander and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-5-methoxy-2,2,8-trimethyl-3,4,7,8-tetrahydropyrano[4,3-h]chromen-10-one |
| Nih Violation | False |
| Class | Benzopyrans |
| Xlogp | 2.2 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | 1-benzopyrans |
| Molecular Formula | C16H20O5 |
| Inchi Key | BWHXOOBBSCGLBC-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | Coriandrone b |
| Compound Name | Coriandrone B |
| Kingdom | Organic compounds |
| Exact Mass | 292.131 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 292.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 292.33 |
| 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/C16H20O5/c1-8-5-9-6-11(19-4)10-7-12(17)16(2,3)21-14(10)13(9)15(18)20-8/h6,8,12,17H,5,7H2,1-4H3 |
| Smiles | CC1CC2=CC(=C3CC(C(OC3=C2C(=O)O1)(C)C)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 2,2-dimethyl-1-benzopyrans |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all