3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one
PubChem CID: 5153580
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| Compound Synonyms | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one, 557792-97-9, 119439-94-0, Ampelopsin, Ampeloptin, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-, CHEBI:28917, MFCD00189451, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, Flavanone base + 6O, rel-(2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone, MLS006011805, SCHEMBL134532, MEGxp0_000639, ACon1_000284, rel-(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, DTXSID001347411, HMS3656M15, BBL032759, STL146391, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one, AKOS005720975, NCGC00180710-01, SMR000440772, SY067288, VS-11511, DB-050127, CS-0329367, trans-3,3',4',5,5',7-Hexahydroxyflavanone, AN-668/21188005, Q27103961, 3,5,7-Trihydroxy-2-(3,4,5-trihydroxy-phenyl)-chroman-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 148.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of Camellia sinensis (Chinese green tea). (±)-Dihydromyricetin is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O00204, P22309, P0DMM9 |
| Iupac Name | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 0.0 |
| Class | Flavonoids |
| Xlogp | 1.1 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavans |
| Molecular Formula | C15H12O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KJXSIXMJHKAJOD-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | (+/-)-Ampelopsin, (+/-)-Dihydromyricetin, (±)-trans-3,3',4',5,5',7-Hexahydroxyflavanone, (2R,3R)-3,5,7,3',4',5'-Hexahydroxyflavanone, 3,3',4',5,5',7-Hexahydroxyflavanone, trans-form, Ampelopsin, Rel-(2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone |
| Compound Name | 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.053 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 320.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.517355556521739 |
| Inchi | InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H |
| Smiles | C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Epigallocatechins |
- 1. Outgoing r'ship
FOUND_INto/from Ampelopsis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hovenia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients