3-Hydroxylicochalcone A
PubChem CID: 38360783
Connections displayed (default: 10).
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| Compound Synonyms | 3-Hydroxylicochalcone A, CHEMBL4076010, HY-N12571, CS-0996801 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-[3,4-dihydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C21H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WECAUVIWKBEGRA-DHZHZOJOSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -4.093 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.078 |
| Compound Name | 3-Hydroxylicochalcone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.8430308615384625 |
| Inchi | InChI=1S/C21H22O5/c1-5-21(2,3)16-12-14(20(26-4)19(25)18(16)24)8-11-17(23)13-6-9-15(22)10-7-13/h5-12,22,24-25H,1H2,2-4H3/b11-8+ |
| Smiles | CC(C)(C=C)C1=C(C(=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients