Licochalcone G
PubChem CID: 49856081
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| Compound Synonyms | Licochalcone G, (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl)prop-2-en-1-one, (E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]prop-2-en-1-one, CHEMBL1644931, BDBM50483310, 1261240-29-2 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 526.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10481, B4URF0 |
| Iupac Name | (E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C21H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UYRRMZSSCNIGNC-RMKNXTFCSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.956 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.645 |
| Compound Name | Licochalcone G |
| 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 | -5.189530861538462 |
| Inchi | InChI=1S/C21H22O5/c1-5-21(2,3)16-10-13(20(26-4)12-19(16)25)6-9-17(23)15-8-7-14(22)11-18(15)24/h5-12,22,24-25H,1H2,2-4H3/b9-6+ |
| Smiles | CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all