Urolithin A
PubChem CID: 5488186
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| Compound Synonyms | urolithin A, 1143-70-0, 3,8-dihydroxy-6H-benzo[c]chromen-6-one, 3,8-Dihydroxyurolithin, 3,8-dihydroxybenzo[c]chromen-6-one, 6H-Dibenzo[b,d]pyran-6-one, 3,8-dihydroxy-, 3,8-Hydroxydibenzo-alpha-pyrone, 3,8-Dihydroxy-6H-dibenzo(b,d)pyran-6-one, ILJ8NEF6DT, Uro-A, 3,8-dihydroxy-urolithin, MFCD20275235, 3,8-dihydroxy-6h-dibenzo[b,d]pyran-6-one, 6H-Dibenzo(b,d)pyran-6-one, 3,8-dihydroxy-, DTXSID40150694, 3,8-DIHYDROXYBENZO(C)CHROMEN-6-ONE, 2-Biphenylcarboxylic acid, 2',4,4'-trihydroxy-, delta-lactone, 3,8-dihydroxy-6H-benzo(c)chromen-6-one, Mitopure, urolithin-A, Urolithin A?, UNII-ILJ8NEF6DT, Urolithin A [WHO-DD], SCHEMBL803408, CHEMBL1836264, DTXCID3073185, CHEBI:168442, RIUPLDUFZCXCHM-UHFFFAOYSA-N, Urolithin A, >=97% (HPLC), EX-A4345, s5312, AKOS028108778, CCG-266776, CS-6305, DB15464, AC-31959, DS-19328, FD171109, SY070232, DB-122496, HY-100599, C22595, Y10574, EN300-7415486, Q15634120, 881-478-5 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Description | A polyphenol metabolite detected in biological fluids [PhenolExplorer] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309, n.a. |
| Iupac Name | 3,8-dihydroxybenzo[c]chromen-6-one |
| Prediction Hob | 1.0 |
| Class | Coumarins and derivatives |
| Xlogp | 2.3 |
| Superclass | Phenylpropanoids and polyketides |
| Molecular Formula | C13H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RIUPLDUFZCXCHM-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.425 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.697 |
| Synonyms | 3,8-Dihydroxy-6H-dibenzo(b,D)pyran-6-one, 3,8-dihydroxy-6H-benzo[c]chromen-6-one, 3,8-dihydroxy-urolithin |
| Compound Name | Urolithin A |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 228.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.628270364705882 |
| Inchi | InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H |
| Smiles | C1=CC2=C(C=C1O)C(=O)OC3=C2C=CC(=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Coumarins and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all