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Pinosylvin

PubChem CID: 5280457

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Compound Synonyms Pinosylvin, 22139-77-1, Pinosylvine, trans-3,5-Dihydroxystilbene, trans-pinosylvin, 102-61-4, (E)-5-Styrylbenzene-1,3-diol, 3,5-stilbenediol, 3,5-Stilbenediol, (E)-, (E)-5-(2-Phenylethenyl)-1,3-benzenediol, 5-[(E)-2-phenylethenyl]benzene-1,3-diol, (E)-3,5-stilbenediol, 3,5-dihydroxy-trans-stilbene, NSC 362430, 1,3-Benzenediol, 5-(2-phenylethenyl)-, (E)-, BRN 1870942, CHEBI:17323, 881R434AIB, 5-[(1E)-2-phenylethenyl]benzene-1,3-diol, PINOSYLVIN [MI], NSC-362430, 5-[(E)-2-phenylvinyl]benzene-1,3-diol, CHEMBL101506, CHEBI:36011, 3-06-00-05577 (Beilstein Handbook Reference), 5-(2-phenylvinyl)benzene-1,3-diol, 1,3-Benzenediol, 5-(2-phenylethenyl)-, 5-[(1E)-2-phenylethenyl]-1,3-benzenediol, 5-((1E)-2-Phenylethenyl)-1,3-benzenediol, 1,3-Benzenediol, 5-[(1E)-2-phenylethenyl]-, 1,3-BENZENEDIOL, 5-((1E)-2-PHENYLETHENYL)-, 5-(2-phenylethenyl)-1,3-benzenediol, 5-((E)-2-phenylvinyl)benzene-1,3-diol, 5-((E)-2-phenylethenyl)benzene-1,3-diol, 5-((1E)-2-phenylethenyl)benzene-1,3-diol, UNII-881R434AIB, (E)-pinosylvin, Stilbene, 1f, MFCD00210544, Pinosylvin (Standard), Spectrum5_000307, (trans)-3,5-stilbenediol, 5-styrylbenzene-1,3-diol, C01745, BSPBio_001753, SCHEMBL454262, HY-N2387R, DTXSID00895857, BCP18617, EX-A3505, HY-N2387, Pinosylvin, >=97.0% (HPLC), 5-[(E)-styryl]benzene-1,3-diol, BDBM50045924, CCG-38399, LMPK13090001, NSC362430, Stilbene, 3,5-dihydroxy-, trans-, AKOS000276828, AC-7928, FP65132, SDCCGMLS-0066433.P001, NCGC00179033-01, AS-76520, DA-56879, CS-0022590, A11372, 5-[(E)-2-PHENYLETHENYL]-1,3-BENZENEDIOL, Q7196412, BRD-K94645280-001-02-1, D33B05BD-8441-4288-A247-D461C3D1F1CA, (E)-3,5-Stilbenediol, (E)-5-(2-Phenylethenyl)-1,3-benzenediol, trans-3,5-Dihydroxystilbene, 5-Styrylresorcinol, Pinosylvine
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 40.5
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC(CCC2CCCCC2)CC1
Np Classifier Class Monomeric stilbenes
Deep Smiles Occc/C=C/cccccc6))))))))ccc6)O
Heavy Atom Count 16.0
Classyfire Class Stilbenes
Scaffold Graph Node Level C1CCC(CCC2CCCCC2)CC1
Isotope Atom Count 0.0
Molecular Complexity 221.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P06239, n.a., Q64669, Q9NPD5, Q9Y6L6, Q8NER1, Q6RI86, O75762
Iupac Name 5-[(E)-2-phenylethenyl]benzene-1,3-diol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT13
Xlogp 3.5
Gsk 4 400 Rule True
Molecular Formula C14H12O2
Scaffold Graph Node Bond Level C(=Cc1ccccc1)c1ccccc1
Prediction Swissadme 0.0
Inchi Key YCVPRTHEGLPYPB-VOTSOKGWSA-N
Silicos It Class Soluble
Fcsp3 0.0
Logs -3.009
Rotatable Bond Count 2.0
Logd 3.485
Synonyms pinosylvin
Esol Class Soluble
Functional Groups c/C=C/c, cO
Compound Name Pinosylvin
Prediction Hob Swissadme 0.0
Exact Mass 212.084
Formal Charge 0.0
Monoisotopic Mass 212.084
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 212.24
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 -3.7713376
Inchi InChI=1S/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H/b7-6+
Smiles C1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)O)O
Nring 2.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Np Classifier Superclass Stilbenoids

  • 1. Outgoing r'ship FOUND_IN to/from Alcea Rosea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Alnus Sieboldiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Alpinia Blepharocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Araiostegiella Perdurans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Balanops Australiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Dalbergia Sissoo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Eucalyptus Jenseni (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Euonymus Tingens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Euphorbia Cornigera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Garcinia Livingstonei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Hylocomium Splendens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Kokoona Reflexa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Maesa Ramentacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Millettia Laurentii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Monodora Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Ocimum Tenuiflorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Onosma Hispida (Plant) Rel Props:Source_db:npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Oroxylum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Pinus Roxburghii (Plant) Rel Props:Reference:ISBN:9788172363130
  • 21. Outgoing r'ship FOUND_IN to/from Pinus Strobus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Pinus Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 23. Outgoing r'ship FOUND_IN to/from Pluchea Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 24. Outgoing r'ship FOUND_IN to/from Salacia Lehmbachii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Salvia Yosgadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 26. Outgoing r'ship FOUND_IN to/from Scutellaria Scandens (Plant) Rel Props:Reference:ISBN:9788185042138
  • 27. Outgoing r'ship FOUND_IN to/from Sideritis Brevibracteata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 28. Outgoing r'ship FOUND_IN to/from Sideroxylon Cubense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 29. Outgoing r'ship FOUND_IN to/from Stemona Collinsae (Plant) Rel Props:Source_db:npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Stemona Sessilifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 31. Outgoing r'ship FOUND_IN to/from Triticum Aestivum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16173460
  • 32. Outgoing r'ship FOUND_IN to/from Viguiera Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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