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.

Aloenin

PubChem CID: 162305

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

ℹ️ Click here to know more about the properties
Compound Synonyms Aloenin, Aloenin A, 38412-46-3, Aloearbonaside, AN96CW6CSU, 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one, MFCD08275450, DTXSID10191751, 2H-Pyran-2-one, 6-[2-(.beta.-D-glucopyranosyloxy)-4-hydroxy-6-methylphenyl]-4-methoxy-, 6-(2-(beta-D-GLUCOPYRANOSYLOXY)-4-HYDROXY-6-METHYLPHENYL)-4-METHOXY-2H-PYRAN-2-ONE, 6-[2-(beta-D-Glucopyranosyloxy)-4-hydroxy-6-methylphenyl]-4-methoxy-2H-pyran-2-one, 2H-PYRAN-2-ONE, 6-(2-(.BETA.-D-GLUCOPYRANOSYLOXY)-4-HYDROXY-6-METHYLPHENYL)-4-METHOXY-, Aloenin (Standard), UNII-AN96CW6CSU, MEGxp0_001070, ACon0_001054, ACon1_000758, HY-N0495R, DTXCID50114242, CHEBI:176869, HY-N0495, AKOS032946155, Aloenin, >=95% (LC/MS-ELSD), NCGC00169388-01, AC-34455, DA-60939, FA145207, MS-27064, CS-0009016, A831563, BRD-K20250782-001-01-4, 2H-Pyran-2-one, 6-(2-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methylphenyl)-4-methoxy-, 4-methoxy-6-(2'-beta-glucopyranosyloxy-4'-hydroxy-6'-methylphenyl)-2-pyrone, 6-(2-(.BETA.-D-GLUCOPYRANOSYLOXY)-4-HYDROXY-6-METHYLPHENYL)-4-METHOXY-2H-PYRAN-2-ONE, 6-(4-HYDROXY-2-METHYL-6-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PHENYL)-4-METHOXYPYRAN-2-ONE, 6-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-phenyl]-4-methoxy-pyran-2-one, 6-[4-hydroxy-2-methyl-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-4-methoxy-2-pyranone
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 155.0
Hydrogen Bond Donor Count 5.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1CCCC(C2CCCCC2CC2CCCCC2)C1
Np Classifier Class 2-pyrone derivatives
Deep Smiles OC[C@H]O[C@@H]OcccO)ccc6cccOC))cc=O)o6)))))))C)))))))[C@@H][C@H][C@@H]6O))O))O
Heavy Atom Count 29.0
Classyfire Class Organooxygen compounds
Scaffold Graph Node Level OC1CCCC(C2CCCCC2OC2CCCCO2)O1
Classyfire Subclass Carbohydrates and carbohydrate conjugates
Isotope Atom Count 0.0
Molecular Complexity 661.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Iupac Name 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
Prediction Hob 1.0
Veber Rule False
Classyfire Superclass Organic oxygen compounds
Xlogp 0.0
Gsk 4 400 Rule False
Molecular Formula C19H22O10
Scaffold Graph Node Bond Level O=c1cccc(-c2ccccc2OC2CCCCO2)o1
Prediction Swissadme 0.0
Inchi Key KFJNVVJUICKJEQ-LQDZTQBFSA-N
Silicos It Class Soluble
Fcsp3 0.4210526315789473
Logs -2.082
Rotatable Bond Count 5.0
Logd 0.029
Synonyms aloenin
Esol Class Soluble
Functional Groups CO, c=O, cO, cOC, cO[C@@H](C)OC, coc
Compound Name Aloenin
Prediction Hob Swissadme 0.0
Exact Mass 410.121
Formal Charge 0.0
Monoisotopic Mass 410.121
Hydrogen Bond Acceptor Count 10.0
Molecular Weight 410.4
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -0.6847318965517242
Inchi InChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16-,17+,18-,19-/m1/s1
Smiles CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Polyketides
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Cyclic polyketides

  • 1. Outgoing r'ship FOUND_IN to/from Aconitum Ferox (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Actaea Spicata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aloe (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Aloe Abyssinica (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Aloe Arborescens (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Aloe Ballyi (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Aloe Barbadensis (Plant) Rel Props:Source_db:npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Aloe Christianii (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Aloe Deltoideodonta (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Aloe Indica (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Aloe Littoralis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Aloe Marlothii (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Aloe Microstigma (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Aloe Nobilis (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Aloe Perryi (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Aloe Ruspoliana (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Aloe Saponaria (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Aloe Socotrina (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Aloe Succotrina (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients
  • 24. Outgoing r'ship FOUND_IN to/from Aloe Vulgaris (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Amphorogyne Spicata (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Antiaris Africana (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Austrotaxus Spicata (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Berberis Lycium (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Canavalia Africana (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Cautleya Spicata (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Datura Ferox (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Deutzia Compacta (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Deutzia Scrabra (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Dicksonia Scabra (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Engelhardtia Spicata (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Entada Africana (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Euryale Ferox (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Galenia Africana (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Garcinia Spicata (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Gentiana Scabra (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Gentiana Spicata (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Guizotia Scabra (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Halimium Halimifolium (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Indigofera Spicata (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Kigelia Africana (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Kiggelaria Africana (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Liatris Spicata (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Liriope Spicata (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Lycium Barbarum (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Lycium Cestroides (Plant) Rel Props:Reference:
  • 51. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Lycium Europaeum (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Lycium Ruthenicum (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Mammea Africana (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Mentha Spicata (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Montanoa Guatemalensis (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Montanoa Karwinskii (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Mosla Scabra (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Moullava Spicata (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Myrsine Africana (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Patrinia Scabra (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Prosopis Africana (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Prunus Africana (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Quassia Africana (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Richardia Scabra (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Schenkia Spicata (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Solanum Ferox (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Symplocos Spicata (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Thymbra Spicata (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Trinia Scabra (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Uncaria Africana (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Wagatea Spicata (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Zehneria Scabra (Plant) Rel Props:Reference:
Back to Browse   Back to Home