Kanzonol L
PubChem CID: 131753032
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Kanzonol L, CHEBI:193448, DTXSID601107043, 156281-31-1, 5,7-Dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-6,8-bis(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one, 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 36.0 |
| Description | Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol L is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 950.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Class | Isoflavonoids |
| Xlogp | 7.4 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflavans |
| Molecular Formula | C30H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CLXMHBYPZWNJQI-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.226 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.317 |
| Substituent Name | 6-prenylated isoflavanone, Pyranoisoflavonoid, Hydroxyisoflavonoid, Isoflavone, 2,2-dimethyl-1-benzopyran, Chromone, 1-benzopyran, Benzopyran, Resorcinol, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Heteroaromatic compound, Vinylogous acid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | Kanzonol L |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 488.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 488.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 488.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -7.05758488888889 |
| Inchi | InChI=1S/C30H32O6/c1-16(2)7-9-20-25(32)21(10-8-17(3)4)29-24(26(20)33)27(34)22(15-35-29)18-11-12-23(31)19-13-14-30(5,6)36-28(18)19/h7-8,11-15,31-33H,9-10H2,1-6H3 |
| Smiles | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=CO2)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)CC=C(C)C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 6-prenylated isoflavanones |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all