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.

Beta-Amyrin Palmitate

PubChem CID: 13915599

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

ℹ️ Click here to know more about the properties
Compound Synonyms beta-Amyrin palmitate, Amyrin palmitate, 5973-06-8, [(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate, Balanophorin A, b-Amyrin palmitate, ((3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) hexadecanoate, -Amyryl hexadecanoate, b-Amyrin palmitic acid, beta-Amyrin palmitic acid, CHEMBL455449, HY-N2924, AKOS032962191, FS-8848, DA-51061, CS-0023530, (3S,4AR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl palmitate
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 26.3
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Np Classifier Class Oleanane triterpenoids
Deep Smiles CCCCCCCCCCCCCCCC=O)O[C@H]CC[C@][C@H]C6C)C))CC[C@@][C@@H]6CC=C[C@@]6C)CC[C@@][C@H]6CCC)C)CC6)))))C)))))))))C)))))C
Heavy Atom Count 48.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Classyfire Subclass Triterpenoids
Isotope Atom Count 0.0
Molecular Complexity 1120.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 8.0
Uniprot Id P35354
Iupac Name [(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 17.1
Gsk 4 400 Rule False
Molecular Formula C46H80O2
Scaffold Graph Node Bond Level C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1
Prediction Swissadme 0.0
Inchi Key VFSRKCNYYCXRGI-JWDOTDQPSA-N
Silicos It Class Insoluble
Fcsp3 0.9347826086956522
Logs -8.491
Rotatable Bond Count 16.0
Logd 7.456
Synonyms beta-amyrin palmitate, β-amyrin palmitate
Esol Class Insoluble
Functional Groups CC(=O)OC, CC=C(C)C
Compound Name Beta-Amyrin Palmitate
Prediction Hob Swissadme 0.0
Exact Mass 664.616
Formal Charge 0.0
Monoisotopic Mass 664.616
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 665.1
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 8.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol -13.649392800000001
Inchi InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37-,38+,39-,43+,44-,45+,46+/m0/s1
Smiles CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C
Nring 5.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Triterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Atalantia Monophylla (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Baccaurea Ramiflora (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Balanophora Fungosa (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042114
  • 4. Outgoing r'ship FOUND_IN to/from Brachylaena Perrieri (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Brachylaena Ramiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Cassia Javanica (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042114
  • 7. Outgoing r'ship FOUND_IN to/from Cheilocostus Speciosus (Plant) Rel Props:Reference:ISBN:9788185042114
  • 8. Outgoing r'ship FOUND_IN to/from Chenopodium Formosanum (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Cleome Monophylla (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Couroupita Guianensis (Plant) Rel Props:Reference:ISBN:9770972795006
  • 11. Outgoing r'ship FOUND_IN to/from Cynanchum Acutum (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Cynanchum Aphyllum (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Cynanchum Ascyrifolium (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Cynanchum Auriculatum (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Cynanchum Bungei (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Cynanchum Chinense (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Cynanchum Extensum (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Cynanchum Formosanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Cynanchum Otophyllum (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Cynanchum Stauntoni (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Cynanchum Thesioides (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Cynanchum Viminale (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Cynanchum Wallichii (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Cynanchum Wilfordii (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Cynoglossum Formosanum (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Eupatorium Formosanum (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Inula Grantioides (Plant) Rel Props:Reference:ISBN:9788172362300
  • 28. Outgoing r'ship FOUND_IN to/from Lobelia Inflata (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/8103103
  • 29. Outgoing r'ship FOUND_IN to/from Paramignya Monophylla (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Pinus Aristata (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Pinus Armandii (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Pinus Banksiana (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Pinus Brutia (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Pinus Bungeana (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Pinus Canariensis (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Pinus Cembra (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Pinus Densiflora (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Pinus Edulis (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Pinus Elliottii (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Pinus Excelsa (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Pinus Flexilis (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Pinus Gerardiana (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Pinus Glauca (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Pinus Griffithi (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Pinus Halepensis (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Pinus Heldreichii (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Pinus Kesiya (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Pinus Koraiensis (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Pinus Krempfii (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Pinus Longifolia (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Pinus Massoniana (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Pinus Merkusii (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Pinus Monophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 54. Outgoing r'ship FOUND_IN to/from Pinus Monticola (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Pinus Mugo (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Pinus Palustris (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Pinus Picea (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Pinus Pinaster (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Pinus Pumila (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Pinus Radiata (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Pinus Resinosa (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Pinus Rigida (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Pinus Roxburghii (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Pinus Sibirica (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Pinus Sitchensis (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Pinus Strobus (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Pinus Sylvestris (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Pinus Taeda (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Pinus Thunbergii (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Pinus Wallichiana (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Pinus Yunnanensis (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Putranjiva Roxburghii (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172360481
  • 73. Outgoing r'ship FOUND_IN to/from Rhododendron Formosanum (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Sambucus Nigra (Plant) Rel Props:Reference:ISBN:9788185042084
  • 75. Outgoing r'ship FOUND_IN to/from Saussurea Costus (Plant) Rel Props:Reference:ISBN:9788172361792
  • 76. Outgoing r'ship FOUND_IN to/from Saussurea Gossypiphora (Plant) Rel Props:Reference:ISBN:9788185042145
  • 77. Outgoing r'ship FOUND_IN to/from Sedum Formosanum (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Taraxacum Formosanum (Plant) Rel Props:Reference:
Back to Browse   Back to Home