Flavokawin A
PubChem CID: 270057
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| Compound Synonyms | Flavokawin A, 3791-75-1, Flavokawine A, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one, 1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(4-methoxyphenyl)propan-1-one, 2'-Hydroxy-4,4',6'-trimethoxydihydrochalcone, 1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-propanone, NSC112156, CHEMBL523190, SCHEMBL2282039, DTXSID50296850, KGFYDIZALLKOLQ-UHFFFAOYSA-N, LMPK12120550, NSC-112156, DS-007994, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1propanone |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C18H20O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KGFYDIZALLKOLQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -4.963 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.394 |
| Compound Name | Flavokawin A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9997755565217386 |
| Inchi | InChI=1S/C18H20O5/c1-21-13-7-4-12(5-8-13)6-9-15(19)18-16(20)10-14(22-2)11-17(18)23-3/h4-5,7-8,10-11,20H,6,9H2,1-3H3 |
| Smiles | COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Gardneri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all