Kanzonol Q
PubChem CID: 11253965
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| Compound Synonyms | Kanzonol Q, CHEMBL559604, CHEBI:174426, DTXSID601148007, 17053-75-7, 5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one, 7,8-Dihydro-5-methoxy-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-ba(2)]dipyran-2-one, 9-methoxy-13,13-dimethyl-4,14-dioxatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),2,6,8-tetraen-5-one |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Description | Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Kanzonol Q is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 401.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one |
| Prediction Hob | 1.0 |
| Class | Coumarins and derivatives |
| Xlogp | 2.9 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Pyranocoumarins |
| Molecular Formula | C15H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HJUDWPJIBKIYQS-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 1.0 |
| Synonyms | Kanzonol Q |
| Substituent Name | Linear pyranocoumarin, Pyranochromene, 2,2-dimethyl-1-benzopyran, 1-benzopyran, Benzopyran, Chromane, Anisole, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Heteroaromatic compound, Lactone, Oxacycle, Organoheterocyclic compound, Monocarboxylic acid or derivatives, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | Kanzonol Q |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.514365484210526 |
| Inchi | InChI=1S/C15H16O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-5,8H,6-7H2,1-3H3 |
| Smiles | CC1(CCC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients