2',6'-Dihydroxy-4'-methoxydihydrochalcone
PubChem CID: 169676
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| Compound Synonyms | 35241-55-5, 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one, 2',6'-Dihydroxy-4'-methoxydihydrochalcone, CHEBI:28523, EEW35E6HOL, 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone, 1-(2,6-Dihydroxy-4-methoxy-phenyl)-3-phenyl-propan-1-one, 2',6'-Dihydroxy 4'-methoxydihydrochalcone, EINECS 252-459-3, CHEMBL486009, DTXSID80188734, 1-Propanone, 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-, UNII-EEW35E6HOL, SCHEMBL4742840, DTXCID40111225, MDMCODCJMHTFIZ-UHFFFAOYSA-N, HY-N8691, BDBM50491174, LMPK12120511, MFCD00270169, AKOS027445414, 2',6'-Dihydroxy-4'-methoxydihydrochalone, DB-017054, 2',6'-Dihydroxy 4'- methoxydihydrochalkone, CS-0148928, NS00029808, 2',6'-Dihydroxy-4'-methoxy-dihydro-chalcone, C09644, 2',6'-Dihydroxy-4'-methoxy-b-phenylpropiophenone, AM-573/20891020, Q27103754, 252-459-3 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Description | Isolated from Populus balsamifera (balsam poplar) oil. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 300.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14916 |
| Iupac Name | 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one |
| Prediction Hob | 1.0 |
| Class | Linear 1,3-diarylpropanoids |
| Xlogp | 3.3 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Chalcones and dihydrochalcones |
| Molecular Formula | C16H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MDMCODCJMHTFIZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.647 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | 3.422 |
| Synonyms | 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone, 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one, 2',6'-Dihydroxy-4'-methoxy-b-phenylpropiophenone, 2',6'-Dihydroxy-4'-methoxydihydrochalcone, 2',6'-Dihydroxy-4'-methoxydihydrochalone, 2',6'-Dihydroxy-4'-methoxydihydro-chalcone |
| Substituent Name | Chalcone or dihydrochalcone, Cinnamylphenol, 2'-hydroxy-dihydrochalcone, Butyrophenone, Acylphloroglucinol derivative, Methoxyphenol, Phloroglucinol derivative, Benzenetriol, Acetophenone, Methoxybenzene, Aryl alkyl ketone, Aryl ketone, Resorcinol, Phenol ether, Benzoyl, Anisole, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Vinylogous acid, Ketone, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | 2',6'-Dihydroxy-4'-methoxydihydrochalcone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 272.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.7275599999999995 |
| Inchi | InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3 |
| Smiles | COC1=CC(=C(C(=C1)O)C(=O)CCC2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 2'-Hydroxy-dihydrochalcones |
- 1. Outgoing r'ship
FOUND_INto/from Adiantum Sulphureum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lindera Umbellata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Litsea Pungens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Piper Aduncum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all