3,4,2',4',alpha-Pentahydroxydihydrochalcone
PubChem CID: 10732214
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| Compound Synonyms | 3,4,2',4',alpha-Pentahydroxydihydrochalcone, CHEMBL2397761, CHEBI:196289, LMPK12120580, (2R)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | (2R)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C15H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CYRHKFJOQQQLAM-CQSZACIVSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -1.969 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.11 |
| Compound Name | 3,4,2',4',alpha-Pentahydroxydihydrochalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 290.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1026373428571423 |
| Inchi | InChI=1S/C15H14O6/c16-9-2-3-10(12(18)7-9)15(21)14(20)6-8-1-4-11(17)13(19)5-8/h1-5,7,14,16-20H,6H2/t14-/m1/s1 |
| Smiles | C1=CC(=C(C=C1C[C@H](C(=O)C2=C(C=C(C=C2)O)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all