4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone
PubChem CID: 10266895
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dihydroflavokawain C, 42546-55-4, 4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone, 1-(2,4-dimethoxy-6-hydroxyphenyl)-3-(4-hydroxyphenyl)-propan-1-one, CHEMBL481649, SCHEMBL6398347, DTXSID70437647, VFHSXDLCCBWTTJ-UHFFFAOYSA-N, 1-Propanone, 1-(2,4-dimethoxy-6-hydroxyphenyl)-3-(4-hydroxyphenyl)-, LMPK12120549 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VFHSXDLCCBWTTJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.788 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.164 |
| Compound Name | 4,2'-Dihydroxy-4',6'-dimethoxydihydrochalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 302.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7884575636363635 |
| Inchi | InChI=1S/C17H18O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)8-5-11-3-6-12(18)7-4-11/h3-4,6-7,9-10,18,20H,5,8H2,1-2H3 |
| Smiles | COC1=CC(=C(C(=C1)OC)C(=O)CCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iryanthera Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all