5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol
PubChem CID: 10879760
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol, 3,3',5-trihydroxy-4'-methoxystilbene, 1-(3,5-Dihydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)ethylene, CHEMBL333230, 3,5,3'-Trihydroxy-4'-methoxy-cis-stilben |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Description | Isolated from rhizomes of Rheum undulatum (rhubarb) 4-Guanidinobutanoate is a normal metabolite present in low concentrations., Patients with hyperargininemia have an arginase deficiency which leads to blockade of the urea cycle in the last step with several clinical symptoms. Owing to the arginase deficiency this patients accumulate arginine which leads eventually to epileptogenic guanidino compounds (PMID 7752905). Rhapontigenin is found in green vegetables and garden rhubarb. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03372 |
| Iupac Name | 5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Class | Stilbenes |
| Xlogp | 3.1 |
| Superclass | Phenylpropanoids and polyketides |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHMHDRYYFAYWEG-IHWYPQMZSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -2.662 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 3.058 |
| Synonyms | 1-(3,5-Dihydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)ethylene, 3,3',5-Trihydroxy-4'-methoxystilbene, 4-guanidinobutanoic acid, 4'-Methoxy-3,3',5-trihydroxystilbene, Pontigenin, Rhapontigenin, 4-Guanidinobutanoic acid |
| Compound Name | 5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.972361021052631 |
| Inchi | InChI=1S/C15H14O4/c1-19-15-5-4-10(8-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2- |
| Smiles | COC1=C(C=C(C=C1)/C=C\C2=CC(=CC(=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Stilbenes |
- 1. Outgoing r'ship
FOUND_INto/from Rheum Coreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rheum Palmatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Rheum Tanguticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all