This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

[5-[(1R,2R)-1-acetyloxy-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl]-2,3-dimethoxyphenyl] acetate

PubChem CID: 162969404

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Topological Polar Surface Area 98.8
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 35.0
Isotope Atom Count 0.0
Molecular Complexity 670.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name [5-[(1R,2R)-1-acetyloxy-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl]-2,3-dimethoxyphenyl] acetate
Prediction Hob 0.0
Xlogp 4.5
Molecular Formula C26H32O9
Prediction Swissadme 0.0
Inchi Key KHHZZNSGDVLSMZ-MYYSRTQBSA-N
Fcsp3 0.3846153846153846
Logs -5.163
Rotatable Bond Count 14.0
Logd 3.012
Compound Name [5-[(1R,2R)-1-acetyloxy-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)propyl]-2,3-dimethoxyphenyl] acetate
Prediction Hob Swissadme 0.0
Exact Mass 488.205
Formal Charge 0.0
Monoisotopic Mass 488.205
Hydrogen Bond Acceptor Count 9.0
Molecular Weight 488.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -5.002118885714287
Inchi InChI=1S/C26H32O9/c1-9-10-18-11-20(29-5)26(21(12-18)30-6)33-15(2)24(35-17(4)28)19-13-22(31-7)25(32-8)23(14-19)34-16(3)27/h9,11-15,24H,1,10H2,2-8H3/t15-,24+/m1/s1
Smiles C[C@H]([C@@H](C1=CC(=C(C(=C1)OC(=O)C)OC)OC)OC(=O)C)OC2=C(C=C(C=C2OC)CC=C)OC
Nring 2.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Catalpa Bignonioides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Cephalonoplos Segetum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Esenbeckia Nesiotica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Helipterum Tenellum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Hyptis Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Ipomoea Cristulata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Lens Phaseoloides (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Lophozonia Menziesii (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Pancratium Trianthum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Piper Pedicellosum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Rhodotypos Scandens (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Xanthostemon Oppositifolius (Plant) Rel Props:Source_db:cmaup_ingredients
Back to Browse   Back to Home