4'-Prenyloxyresveratrol
PubChem CID: 5281724
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Prenyloxyresveratrol, 4'-Prenyloxyresveratrol, 69065-16-3, 5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol, 2',3,4',5-Tetrahydroxy-4-prenylstilbene, CHEBI:1736, CHEMBL4464047, SCHEMBL25223796, DTXSID90415184, AKOS040760091, FS-7132, DA-49758, HY-137000, Q27105500, 5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry). 2',3,4',5-Tetrahydroxy-4-prenylstilbene is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FEHGVKWVMWWVQZ-SNAWJCMRSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -3.01 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.745 |
| Synonyms | 2',3,4',5-Tetrahydroxy-4-prenylstilbene, 4'-Prenyloxyresveratrol |
| Compound Name | 4'-Prenyloxyresveratrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.859749956521739 |
| Inchi | InChI=1S/C19H20O4/c1-12(2)3-8-16-18(22)9-13(10-19(16)23)4-5-14-6-7-15(20)11-17(14)21/h3-7,9-11,20-23H,8H2,1-2H3/b5-4+ |
| Smiles | CC(=CCC1=C(C=C(C=C1O)/C=C/C2=C(C=C(C=C2)O)O)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Integra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euonymus Mupinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients