Dillanol
PubChem CID: 85859469
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dillanol |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | Dillanol is a member of the class of compounds known as isoflavones. Isoflavones are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Dillanol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dillanol can be found in dill, which makes dillanol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 466.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,11-dihydroxy-2-methoxybenzo[a]xanthen-12-one |
| Nih Violation | True |
| Class | Isoflavonoids |
| Xlogp | 4.0 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Isoflav-2-enes |
| Molecular Formula | C18H12O5 |
| Inchi Key | ZFAGJQRGJIBDCJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Compound Name | Dillanol |
| Kingdom | Organic compounds |
| Exact Mass | 308.068 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 308.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 308.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C18H12O5/c1-22-11-4-2-9-3-5-14-16(12(9)8-11)18(21)17-13(20)6-10(19)7-15(17)23-14/h2-8,19-20H,1H3 |
| Smiles | COC1=CC2=C(C=C1)C=CC3=C2C(=O)C4=C(C=C(C=C4O3)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Isoflavones |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all