4-Prenylresveratrol
PubChem CID: 5281725
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| Compound Synonyms | 4-Prenylresveratrol, Arachidin 2, 61517-87-1, ARACHIDIN-2, CHEBI:1927, 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol, SCHEMBL4742876, CHEMBL2230263, DTXSID50415185, BDBM50507782, HY-N12144, LMPK13090014, DA-61183, (e)-3,5,4'-trihydroxy-4-prenylstilbene, CS-0892192, Q27105529 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Target Id | NPT261, NPT582 |
| Xlogp | 5.1 |
| Is Pains | False |
| Molecular Formula | C19H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWFOQQIWOKJBSJ-SNAWJCMRSA-N |
| Fcsp3 | 0.1578947368421052 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 4-Prenylresveratrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.141 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 296.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.998605563636363 |
| Inchi | InChI=1S/C19H20O3/c1-13(2)3-10-17-18(21)11-15(12-19(17)22)5-4-14-6-8-16(20)9-7-14/h3-9,11-12,20-22H,10H2,1-2H3/b5-4+ |
| Smiles | CC(=CCC1=C(C=C(C=C1O)/C=C/C2=CC=C(C=C2)O)O)C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients