Kanzonol K
PubChem CID: 131753069
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| Compound Synonyms | Kanzonol K, 156281-30-0, 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one, 3-(2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one, CHEBI:175519, DTXSID901318449, 2',4',5-Trihydroxy-7-methoxy-3',6-diprenylisoflavone |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Description | Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol K is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 760.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Class | Isoflavonoids |
| Xlogp | 6.5 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflavans |
| Molecular Formula | C26H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UWUOGPWSIVRQNM-UHFFFAOYSA-N |
| Fcsp3 | 0.2692307692307692 |
| Rotatable Bond Count | 6.0 |
| Synonyms | 2',4',5-Trihydroxy-7-methoxy-3',6-diprenylisoflavone, Kanzonol K |
| Substituent Name | 6-prenylated isoflavanone, 7-o-methylisoflavone, Hydroxyisoflavonoid, Isoflavone, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Resorcinol, Anisole, Pyranone, Phenol, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | Kanzonol K |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -6.111324800000001 |
| Inchi | InChI=1S/C26H28O6/c1-14(2)6-8-17-20(27)11-10-16(24(17)28)19-13-32-22-12-21(31-5)18(9-7-15(3)4)25(29)23(22)26(19)30/h6-7,10-13,27-29H,8-9H2,1-5H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1O)C2=COC3=CC(=C(C(=C3C2=O)O)CC=C(C)C)OC)O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 6-prenylated isoflavanones |
- 1. Outgoing r'ship
FOUND_INto/from Aster Scaber (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Bryonia Scaber (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Cephalaria Uralensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Doellingeria Scaber (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Elephantopus Scaber (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Glycyrrhiza (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Aspera (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Echinata (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Kansuensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Lepidota (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Pallidiflora (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Sp (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Squamulosa (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Triphylla (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Yunnanensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Haemanthus Tigrinus (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Polypodium Glycyrrhiza (Plant) Rel Props:Reference: