2',4'-Dihydroxy-4,6'-dimethoxychalcone
PubChem CID: 11449431
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| Compound Synonyms | 4-O-Methylhelichrysetin, 56121-44-9, 2',4'-Dihydroxy-4,6'-dimethoxychalcone, (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one, CHEMBL494264, SCHEMBL2286230, SCHEMBL2286236, LMPK12120301, AKOS040761151, FS-8663, XM173146, CS-0017868, 855740-21-5 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 387.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YROJPKUFDFWHAO-VMPITWQZSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.05 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.021 |
| Compound Name | 2',4'-Dihydroxy-4,6'-dimethoxychalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9616583636363636 |
| Inchi | InChI=1S/C17H16O5/c1-21-13-6-3-11(4-7-13)5-8-14(19)17-15(20)9-12(18)10-16(17)22-2/h3-10,18,20H,1-2H3/b8-5+ |
| Smiles | COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Gardneri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all