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.

CID 23723041

PubChem CID: 23723041

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

ℹ️ Click here to know more about the properties
Compound Synonyms MLS000563157, Sumaresinolic acid, CHEMBL1698617, CHEBI:181484, HMS2269L04, SMR000470904, (4As,6aS,6bR,8R,10S,12aR,14bS)-8,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Topological Polar Surface Area 77.8
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 34.0
Isotope Atom Count 0.0
Molecular Complexity 919.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 7.0
Uniprot Id Q16236, P84022, O75496, Q99700, P43220, Q77YF9, Q9NUW8, Q03431, O95398
Iupac Name (4aS,6aS,6bR,8R,10S,12aR,14bS)-8,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Prediction Hob 0.0
Xlogp 6.1
Molecular Formula C30H48O4
Prediction Swissadme 0.0
Inchi Key KLHSKTMVSOWVLD-FADATJPDSA-N
Fcsp3 0.9
Logs -4.081
Rotatable Bond Count 1.0
Logd 4.19
Compound Name CID 23723041
Prediction Hob Swissadme 0.0
Exact Mass 472.355
Formal Charge 0.0
Monoisotopic Mass 472.355
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 472.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 9.0
Total Bond Stereocenter Count 0.0
Esol -6.573002000000002
Inchi InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21?,22-,23?,27+,28+,29+,30-/m0/s1
Smiles C[C@]12CC[C@@H](C(C1[C@@H](C[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)O)(C)C)O
Nring 5.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Cotinus Coggygria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Lindera Benzoin (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Styrax (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Styrax Agrestis (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Styrax Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Styrax Ferrugineus (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Styrax Formosanus (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Styrax Hookeri (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Styrax Japonicus (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Styrax Obassia (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Styrax Perkinsiae (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Styrax Rulatum (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Styrax Serrulatum (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Styrax Tonkinensis (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Swertia Alata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Swertia Angustifolia (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Swertia Bimaculata (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Swertia Calycina (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Swertia Chinensis (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Swertia Chirata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Swertia Chirayita (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Swertia Ciliata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Swertia Cincta (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Swertia Cordata (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Swertia Corymbosa (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Swertia Decora (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Swertia Decussata (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Swertia Delavayi (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Swertia Densiflora (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Swertia Dilatata (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Swertia Erythrosticta (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Swertia Fasciculata (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Swertia Franchetiana (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Swertia Hickinii (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Swertia Kouitchensis (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Swertia Lawii (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Swertia Leduci (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Swertia Leducii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 41. Outgoing r'ship FOUND_IN to/from Swertia Lloydioides (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Swertia Macrosperma (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Swertia Minor (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Swertia Mussotii (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Swertia Nervosa (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Swertia Patens (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Swertia Perennis (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Swertia Petiolata (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Swertia Pseudochinensis (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Swertia Pulchella (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Swertia Punctata (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Swertia Punicea (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Swertia Purpurascens (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Swertia Randainensis (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Swertia Spaciosa (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Swertia Swertiopsis (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Swertia Swertopsis (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Swertia Thomsonii (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Swertia Tosaensis (Plant) Rel Props:Reference:
Back to Browse   Back to Home