Pinostilbene
PubChem CID: 5473050
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| Compound Synonyms | Pinostilbene, 42438-89-1, 3-methoxy-4',5-dihydroxy-trans-stilbene, Pinostilbene hydrate, 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol, trans-Pinostilbene, Pinostilbene, trans-, CHEBI:63672, resveratrol monomethyl ether, 4PAK325BEM, (e)-3-(4-hydroxystyryl)-5-methoxyphenol, CHEMBL498917, DTXSID50420234, 3,4-Dihydroxy-5-methoxy-trans-stilbene, 3-((1E)-2-(4-Hydroxyphenyl)ethenyl)-5-methoxyphenol, Phenol, 3-((1E)-2-(4-hydroxyphenyl)ethenyl)-5-methoxy-, Phenol, 3-(2-(4-hydroxyphenyl)ethenyl)-5-methoxy-, (E)-, Phenol, 3-(2-(4-hydroxyphenyl)ethenyl)-5-methoxy-, Phenol, 3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxy-, 3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol, 3,4'-Dihydroxy-5-methoxy-trans-stilbene hydrate, 3-methoxyresveratrol, MFCD12407153, NSC723532, trans-3,4'-dihydroxy-5-methoxystilbene, 3,4'-Dihydroxy-5-methoxy-trans-stilbene, Pinostilbene (Standard), trans-Pinostilbene hydrate, UNII-4PAK325BEM, E-pinostilbene, Pinostilbene, SCHEMBL562335, SCHEMBL562336, HY-N3059R, DTXCID00371080, KUWZXOMQXYWKBS-NSCUHMNNSA-N, BCP18618, HY-N3059, BDBM50252422, MFCD20527315, AKOS015915100, AC-7026, FP75817, NSC-723532, AS-56412, CS-0023117, P1927, C20154, 3-[(E)-2-(4-hydroxyphenyl)vinyl]-5-methoxy-phenol, Q18388690, Z3210723812, Phenol, 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-, 3-[(1E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol hydrate |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q16678, P04798 |
| Iupac Name | 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol |
| Prediction Hob | 1.0 |
| Target Id | NPT1604, NPT1603 |
| Xlogp | 3.5 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUWZXOMQXYWKBS-NSCUHMNNSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -3.007 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.621 |
| Compound Name | Pinostilbene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8109321333333335 |
| Inchi | InChI=1S/C15H14O3/c1-18-15-9-12(8-14(17)10-15)3-2-11-4-6-13(16)7-5-11/h2-10,16-17H,1H3/b3-2+ |
| Smiles | COC1=CC(=CC(=C1)O)/C=C/C2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Moniliforme (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all