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2-[4-[(R)-hydroxy-[(2S)-oxiran-2-yl]methyl]-2,6-dimethoxyphenyl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol

PubChem CID: 163041299

Connections displayed (default: 10).
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Topological Polar Surface Area 101.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 28.0
Isotope Atom Count 0.0
Molecular Complexity 499.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name 2-[4-[(R)-hydroxy-[(2S)-oxiran-2-yl]methyl]-2,6-dimethoxyphenyl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
Prediction Hob 1.0
Xlogp 1.7
Molecular Formula C21H24O7
Prediction Swissadme 1.0
Inchi Key RVUMFJDIVFCDEA-LJGXYGFNSA-N
Fcsp3 0.3333333333333333
Logs -3.677
Rotatable Bond Count 8.0
Logd 1.578
Compound Name 2-[4-[(R)-hydroxy-[(2S)-oxiran-2-yl]methyl]-2,6-dimethoxyphenyl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenol
Prediction Hob Swissadme 1.0
Exact Mass 388.152
Formal Charge 0.0
Monoisotopic Mass 388.152
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 388.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 1.0
Esol -3.1146220571428582
Inchi InChI=1S/C21H24O7/c1-25-15-9-13(20(23)18-11-28-18)10-16(26-2)19(15)14-7-12(5-4-6-22)8-17(27-3)21(14)24/h4-5,7-10,18,20,22-24H,6,11H2,1-3H3/b5-4+/t18-,20+/m0/s1
Smiles COC1=CC(=CC(=C1O)C2=C(C=C(C=C2OC)[C@H]([C@@H]3CO3)O)OC)/C=C/CO
Nring 3.0
Defined Bond Stereocenter Count 1.0

  • 1. Outgoing r'ship FOUND_IN to/from Aralidium Pinnatifidum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Bersama Swinnyi (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Blainvillea Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Cheilanthes Marantae (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Euphorbia Resinifera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Eurycoma Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Geigeria Schinzii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Goniothalamus Undulatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Helichrysum Angustifolium (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Helichrysum Sutherlandii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Leontice Kiangnanensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Lophocereus Marginatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Nemuaron Humboldtii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Ophryosporus Charua (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Pachycereus Pringlei (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Papaver Radicatum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Pinus Glauca (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Prosopis Kuntzei (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Pteris Spinulosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 20. Outgoing r'ship FOUND_IN to/from Stenocereus Thurberi (Plant) Rel Props:Source_db:cmaup_ingredients
  • 21. Outgoing r'ship FOUND_IN to/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients
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