cis-Pterostilbene
PubChem CID: 5320791
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| Compound Synonyms | cis-Pterostilbene, (Z)-Pterostilbene, 441351-32-2, Pterostilbene, (Z)-, FBS8JQ0T3V, 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]phenol, CHEMBL87712, (Z)-4-(3,5-Dimethoxystyryl)phenol, 4-((1Z)-2-(3,5-Dimethoxyphenyl)ethenyl)phenol, 4-[(1Z)-2-(3,5-dimethoxyphenyl)ethenyl]phenol, Phenol, 4-((1Z)-2-(3,5-dimethoxyphenyl)ethenyl)-, UNII-FBS8JQ0T3V, SCHEMBL3545782, BDBM50473759, AKOS025401670, NCGC00388121-01, AC-24236, FP153167, Q27277912 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Description | Pterostilbene is a member of the class of compounds known as stilbenes. Stilbenes are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Pterostilbene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pterostilbene can be found in common grape and grape wine, which makes pterostilbene a potential biomarker for the consumption of these food products. Pterostilbene is a stilbenoid chemically related to resveratrol. In plants, it serves a defensive phytoalexin role . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 270.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q862F3, n.a. |
| Iupac Name | 4-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]phenol |
| Prediction Hob | 1.0 |
| Class | Stilbenes |
| Xlogp | 3.8 |
| Superclass | Phenylpropanoids and polyketides |
| Molecular Formula | C16H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VLEUZFDZJKSGMX-ARJAWSKDSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.012 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.798 |
| Synonyms | (E)-4-(3,5-dimethoxystyryl)phenol, 3,5-Dimethoxy-4'-hydroxy-trans-stilbene, 3,5-Dimethoxy-4'-hydroxystilbene, 3',5'-Dimethoxy-4-stilbenol, 3',5'-dimethoxy-4E-stilbenol, 3',5'-dimethoxy-4trans-stilbenol, 3',5'-dimethoxy-resveratrol, 4-((E)-2-(3,5-dimethoxyphenyl)ethenyl)phenol, 4-(2-(3,5-Dimethoxyphenyl)ethenyl)phenol, 4-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]phenol, 4-[(3,5-Dimethoxyphenyl)ethenyl]phenol, 4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol, 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol, 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol, 4-Stilbenol, 3',5'-dimethoxy-, (E)-, 4'-Hydroxy-3,5-dimethoxystilbene, 4E-(2-(3,5-dimethoxyphenyl)ethenyl)phenol, 4trans-(2-(3,5-dimethoxyphenyl)ethenyl)phenol, E 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol, Phenol, 4-(2-(3,5-dimethoxyphenyl)ethenyl)-, (E)-, Pterocarpus marsupium, Pterostilben, Pterostilbene, Pterostilbene, pterocarpus marsupium |
| Compound Name | cis-Pterostilbene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -4.013834621052631 |
| Inchi | InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3- |
| Smiles | COC1=CC(=CC(=C1)/C=C\C2=CC=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Stilbenes |
- 1. Outgoing r'ship
FOUND_INto/from Daemonorops Draco (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lemmaphyllum Microphyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Matteuccia Struthiopteris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pteridium Aquilinum (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Pterocarpus Santalinus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all