Glychalcone A
PubChem CID: 15230651
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| Compound Synonyms | Glychalcone A, 6'',6''-Dimethylpyrano[2'',3'':4',3']-2'-hydroxy-4,6'-dimethoxychalcone, CHEMBL4865912, SCHEMBL14296455, LMPK12120302, (E)-1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, 143885-75-0 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 573.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(5-hydroxy-7-methoxy-2,2-dimethylchromen-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C22H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QPRYWSHCBHNFJL-JXMROGBWSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -5.159 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.869 |
| Compound Name | Glychalcone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.1031494888888895 |
| Inchi | InChI=1S/C22H22O5/c1-22(2)12-11-16-18(27-22)13-19(26-4)20(21(16)24)17(23)10-7-14-5-8-15(25-3)9-6-14/h5-13,24H,1-4H3/b10-7+ |
| Smiles | CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=O)/C=C/C3=CC=C(C=C3)OC)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ventilago Leiocarpa (Plant) Rel Props:Source_db:cmaup_ingredients