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Pterostilbene

PubChem CID: 5281727

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Compound Synonyms Pterostilbene, 537-42-8, trans-pterostilbene, 4-(3,5-Dimethoxystyryl)phenol, (E)-4-(3,5-dimethoxystyryl)phenol, 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol, 18259-15-9, 3',5'-Dimethoxy-4-stilbenol, pterostilbene, (E)-, 4-[(E)-2-(3,5-dimethoxyphenyl)vinyl]phenol, 3,5-Dimethoxy-4'-hydroxy-trans-stilbene, pterostilben, Phenol, 4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-, 3',5'-dimethoxy-resveratrol, UNII-26R60S6A5I, trans-3,5-dimethoxy-4'-hydroxystilbene, CHEBI:8630, 26R60S6A5I, 3,5-Dimethoxy-4'-hydroxystilbene, MFCD00238710, 4-((E)-2-(3,5-dimethoxyphenyl)ethenyl)phenol, CHEMBL83527, 4-Stilbenol, 3',5'-dimethoxy-, (E)-, DTXSID9041106, (E)-3',5'-dimethoxy-4-stilbenol, EH-301 COMPONENT PTEROSTILBENE, (E)-4'-hydroxy-3,5-dimethoxystilbene, 4'-Hydroxy-3,5-dimethoxy-trans-stilbene, (E)-1-hydroxy-4-(3,5-dimethoxy)styrylbenzene, 4-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]phenol, 4-(2-(3,5-Dimethoxyphenyl)ethenyl)phenol, phenol, 4-((1E)-2-(3,5-dimethoxyphenyl)ethenyl)-, Phenol, 4-(2-(3,5-dimethoxyphenyl)ethenyl)-, (E)-, 4-((1E)-2-(3,5-DIMETHOXYPHENYL)ETHENYL)PHENOL, trans-1-(3,5-Dimethoxyphenyl)-2-(4-hydroxyphenyl)ethylene, SMR000440694, 4-[2-(3,5-dimethoxyphenyl)ethenyl]phenol, 4-((E)-2-(3,5-dimethoxyphenyl)vinyl)phenol, Pterostilbene, Pterocarpus marsupium, pTeroPure, 3',5'-dimethoxy-4E-stilbenol, 3,5-Dimethoxy-4'-hydroxystilbene, 4-[(1E)-2-(3,5-Dimethoxyphenyl)ethenyl]phenol, Tero-STILL-bean, 3',5'-dimethoxy-4trans-stilbenol, Phenol, 4-[2-(3,5-dimethoxyphenyl)ethenyl]-, CPD000440694, Pterostilbene (Standard), Phenol, 4-[(1Z)-2-(3,5-dimethoxyphenyl)ethenyl]-, 4trans-(2-(3,5-dimethoxyphenyl)ethenyl)phenol, SCHEMBL20063, MLS000759434, MLS000863581, MLS001424135, SCHEMBL563218, PTEROSTILBENE [WHO-DD], GTPL2681, MEGxp0_000345, DTXCID7021106, ACon1_000305, HY-N0828R, Pterostilbene - Bio-X trade mark, HMS2051B10, HMS2270J16, ALBB-013778, BCP22675, HY-N0828, BDBM50131688, LMPK13090015, MSK162922, NSC613735, s3937, 4''-hydroxy-3,5-dimethoxy stilbene, AKOS000277651, AKOS025310510, AC-5283, CCG-101015, CS-W008773, FP15443, NC00265, NSC-613735, Pterostilbene, >=97% (HPLC), solid, NCGC00180691-01, AS-13710, BP300110, LS-14484, 3,5-Dimethoxy-4''-hydroxyl-trans-stilbene, NS00032832, P1924, 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol, E 4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol, 4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-phenol, EN300-18388389, phenol, 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-, Q2908011, BRD-K53097745-001-01-5, Z2065715198, 1318852-41-3, Pterostilbene4-(3,5-Dimethoxystyryl)phenol, (E)-4-(3,5-dimethoxystyryl)phenol, 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 38.7
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC(CCC2CCCCC2)CC1
Np Classifier Class Monomeric stilbenes
Deep Smiles COccc/C=C/cccccc6))O)))))))ccc6)OC
Heavy Atom Count 19.0
Classyfire Class Stilbenes
Scaffold Graph Node Level C1CCC(CCC2CCCCC2)CC1
Isotope Atom Count 0.0
Molecular Complexity 270.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P08183, P11274, P23219, P35354, n.a., P11511, B2RXH2, P51151, P10636, P51450, Q9F4F7, Q03164, P28482, O15118, P10253, P55789, P08659, O75496, P43220, P38398, Q9NUW8, Q13148, P16083, P63000, P00749, Q16678, P04798, Q8NER1, Q6RI86, Q60795, P09917
Iupac Name 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT668, NPT3960, NPT30, NPT31, NPT48, NPT537, NPT51, NPT282, NPT538, NPT60, NPT2629, NPT366, NPT1604, NPT1603, NPT570
Xlogp 3.8
Gsk 4 400 Rule True
Molecular Formula C16H16O3
Scaffold Graph Node Bond Level C(=Cc1ccccc1)c1ccccc1
Prediction Swissadme 0.0
Inchi Key VLEUZFDZJKSGMX-ONEGZZNKSA-N
Silicos It Class Moderately soluble
Fcsp3 0.125
Logs -4.012
Rotatable Bond Count 4.0
Logd 3.798
Synonyms pterostilbene, trans-pterostilbene
Esol Class Moderately soluble
Functional Groups c/C=C/c, cO, cOC
Compound Name Pterostilbene
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
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Lipinski Rule Of 5 True
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
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Np Classifier Superclass Stilbenoids