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.

Uyshrhkohclbce-phrmgerwsa-

PubChem CID: 11969877

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

ℹ️ Click here to know more about the properties
Compound Synonyms CHEMBL1970520, UYSHRHKOHCLBCE-PHRMGERWSA-, NSC631942, NSC-631942, (6R,11R)-26.xi.-Hydroxy-13.xi.-oxaspiroirid-16-enal, InChI=1/C30H46O5/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30(28(33)35-25)27(14-9-17-31)26(24(5)20-32)15-16-29(30,6)34/h8,10,12-13,18,20,25,27-28,31,33-34H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24-/t25?,27-,28?,29+,30+/m1/s1
Topological Polar Surface Area 87.0
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 35.0
Isotope Atom Count 0.0
Molecular Complexity 888.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 3.0
Iupac Name (2Z)-2-[(5R,6S,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-3-[(1E,3E,5E)-2,6,10-trimethylundeca-1,3,5,9-tetraenyl]-2-oxaspiro[4.5]decan-9-ylidene]propanal
Prediction Hob 0.0
Xlogp 5.1
Molecular Formula C30H46O5
Prediction Swissadme 0.0
Inchi Key UYSHRHKOHCLBCE-PHRMGERWSA-N
Fcsp3 0.6333333333333333
Logs -4.487
Rotatable Bond Count 10.0
Logd 4.585
Compound Name Uyshrhkohclbce-phrmgerwsa-
Prediction Hob Swissadme 0.0
Exact Mass 486.335
Formal Charge 0.0
Monoisotopic Mass 486.335
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 486.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 4.0
Esol -5.410496600000001
Inchi InChI=1S/C30H46O5/c1-21(2)10-7-11-22(3)12-8-13-23(4)18-25-19-30(28(33)35-25)27(14-9-17-31)26(24(5)20-32)15-16-29(30,6)34/h8,10,12-13,18,20,25,27-28,31,33-34H,7,9,11,14-17,19H2,1-6H3/b13-8+,22-12+,23-18+,26-24-/t25?,27-,28?,29+,30+/m1/s1
Smiles CC(=CCC/C(=C/C=C/C(=C/C1C[C@]2([C@@H](/C(=C(/C)\C=O)/CC[C@]2(C)O)CCCO)C(O1)O)/C)/C)C
Nring 6.0
Defined Bond Stereocenter Count 4.0

  • 1. Outgoing r'ship FOUND_IN to/from Actinidia Arguta (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Actinidia Callosa (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Actinidia Chinensis (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Actinidia Chrysantha (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Actinidia Deliciosa (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Actinidia Eriantha (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Actinidia Glaucophylla (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Actinidia Kolomikta (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Actinidia Latifolia (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Actinidia Polygama (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Actinidia Rubricaulis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Grewia Polygama (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Iris Bungei (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Iris Cristata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Iris Decora (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Iris Dichotoma (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Iris Domestica (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Iris Ensata (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Iris Florentina (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Iris Germanica (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Iris Halophila (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Iris Hoogiana (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Iris Hookeriana (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Iris Japonica (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Iris Kashmiriana (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Iris Kemaonensis (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Iris Kemaonesis (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Iris Lactea (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Iris Milesii (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Iris Nepalensis (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Iris Pallasii (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Iris Pallida (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Iris Potaninii (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Iris Pseudacorus (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Iris Sanguinea (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Iris Sibirica (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Iris Spuria (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Iris Tectorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Iris Tingitana (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Iris Unguicularis (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Iris Versicolor (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Sempervivum Tectorum (Plant) Rel Props:Reference:
Back to Browse   Back to Home