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.

7-Megastigmene-3,5,6,9-tetraol

PubChem CID: 637237

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

ℹ️ Click here to know more about the properties
Compound Synonyms 7-Megastigmene-3,5,6,9-tetraol, (1R,2R,4S)-1-[(E,3S)-3-hydroxybut-1-enyl]-2,6,6-trimethylcyclohexane-1,2,4-triol, 276870-26-9, Megastigmane, CHEMBL1643084, AKOS040762570, FS-9703, CS-0023860
Prediction Swissadme 1.0
Topological Polar Surface Area 80.9
Hydrogen Bond Donor Count 4.0
Inchi Key CTCKPFXFWVNGLG-DWFSUXBBSA-N
Fcsp3 0.8461538461538461
Rotatable Bond Count 2.0
Heavy Atom Count 17.0
Compound Name 7-Megastigmene-3,5,6,9-tetraol
Prediction Hob Swissadme 1.0
Exact Mass 244.167
Formal Charge 0.0
Monoisotopic Mass 244.167
Isotope Atom Count 0.0
Molecular Complexity 313.0
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 244.33
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 4.0
Iupac Name (1R,2R,4S)-1-[(E,3S)-3-hydroxybut-1-enyl]-2,6,6-trimethylcyclohexane-1,2,4-triol
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 1.0
Prediction Hob 1.0
Esol -1.2543522
Inchi InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9-,10-,12+,13+/m0/s1
Smiles C[C@@H](/C=C/[C@@]1([C@](C[C@H](CC1(C)C)O)(C)O)O)O
Xlogp 0.1
Defined Bond Stereocenter Count 1.0
Molecular Formula C13H24O4

  • 1. Outgoing r'ship FOUND_IN to/from Aconitum Zuccarini (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Arctotheca Calendula (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Chamaecyparis Pisifera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Crotalaria Laburnifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Danae Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Daphniphyllum Calycinum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Elaeagnus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Ficus Microcarpa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Hymenoxys Microcephala (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Isodon Sculponeatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Melampodium Argophyllum (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Ozothamnus Obcordatus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Psydrax Livida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Quercus Pedunculata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Saussurea Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Schefflera Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Tecoma Heptaphylla (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Tithonia Rotundifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 19. Outgoing r'ship FOUND_IN to/from Xylosalsola Arbuscula (Plant) Rel Props:Source_db:cmaup_ingredients
Back to Browse   Back to Home