Eucalyptal A
PubChem CID: 24755349
Connections displayed (default: 10).
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| Compound Synonyms | Eucalyptal A, CHEBI:65869, (1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-(prop-1-en-2-yl)-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1H-benzo[c]xanthene-9,11-dicarbaldehyde, (1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-prop-1-en-2-yl-1,2,3,5,6,7,12a,12b-octahydronaphtho[1,2-b]chromene-9,11-dicarbaldehyde, (1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-(prop-1-en-2-yl)-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1H-benzo(c)xanthene-9,11-dicarbaldehyde, (1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-prop-1-en-2-yl-1,2,3,5,6,7,12a,12b-octahydronaphtho(1,2-b)chromene-9,11-dicarbaldehyde, Q27134362, 1000994-06-8 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 852.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-prop-1-en-2-yl-1,2,3,5,6,7,12a,12b-octahydronaphtho[1,2-b]chromene-9,11-dicarbaldehyde |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C28H36O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HJUVXYVQIXPSJI-ICRWQPCKSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -3.717 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.755 |
| Compound Name | Eucalyptal A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 468.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 468.251 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 468.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.9226462352941205 |
| Inchi | InChI=1S/C28H36O6/c1-14(2)11-20-21-24(32)18(12-29)23(31)19(13-30)25(21)34-26-22-17(15(3)4)8-7-16(5)28(22,33)10-9-27(20,26)6/h12-14,17,20,22,26,31-33H,3,5,7-11H2,1-2,4,6H3/t17-,20+,22-,26-,27+,28+/m0/s1 |
| Smiles | CC(C)C[C@@H]1C2=C(C(=C(C(=C2O[C@@H]3[C@@]1(CC[C@@]4([C@H]3[C@@H](CCC4=C)C(=C)C)O)C)C=O)O)C=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Alata (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Alba (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Eucalyptus Albens (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Eucalyptus Amplifolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Eucalyptus Apodophylla (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Eucalyptus Astringens (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Eucalyptus Australiana (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Eucalyptus Baueriana (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Eucalyptus Berghei (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Eucalyptus Camaldulensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Eucalyptus Cameldulensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Eucalyptus Campanulata (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Eucalyptus Cinerea (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Eucalyptus Citriodora (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Eucalyptus Cladocalyx (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Eucalyptus Coccifera (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Eucalyptus Cordata (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Eucalyptus Crebra (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Eucalyptus Dealbata (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Eucalyptus Decorticans (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Eucalyptus Deglupta (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Eucalyptus Delegatensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Eucalyptus Dives (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Eucalyptus Dundasii (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Eucalyptus Exserta (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Eucalyptus Flocktoniae (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Eucalyptus Foecunda (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Eucalyptus Froggattii (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
FOUND_INto/from Eucalyptus Goniocalyx (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Eucalyptus Grandis (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Eucalyptus Gunnii (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Eucalyptus Haemastoma (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Eucalyptus Hybrid (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Eucalyptus Hybrida (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Eucalyptus Jenseni (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Eucalyptus Jensenii (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Eucalyptus Kirtoniana (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Eucalyptus Kitsoni (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Eucalyptus Kitsoniana (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Eucalyptus Lanceolatus (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Eucalyptus Leucoxylon (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Eucalyptus Luehmanniana (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Eucalyptus Macarthurii (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Eucalyptus Macrocarpa (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Eucalyptus Macrorhyncha (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Eucalyptus Maideni (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Eucalyptus Melanophloia (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Eucalyptus Melliodora (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Eucalyptus Michaeliana (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Eucalyptus Microcorys (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Eucalyptus Microtheca (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Eucalyptus Moluccana (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Eucalyptus Obliqua (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Eucalyptus Ovata (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Eucalyptus Perriniana (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Eucalyptus Phellandra (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Eucalyptus Platypus (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Eucalyptus Polyanthemos (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Eucalyptus Populnea (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Eucalyptus Pulverulenta (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Eucalyptus Radiata (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Eucalyptus Regnans (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Eucalyptus Resinifera (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Eucalyptus Risdonii (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Eucalyptus Robusta (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Eucalyptus Rubida (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Eucalyptus Rudis (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Eucalyptus Saligna (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Eucalyptus Sideroxylon (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Eucalyptus Sieberi (Plant) Rel Props:Reference: - 72. Outgoing r'ship
FOUND_INto/from Eucalyptus Sieberiana (Plant) Rel Props:Reference: - 73. Outgoing r'ship
FOUND_INto/from Eucalyptus Smithii (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Eucalyptus Staigeriana (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Eucalyptus Tereticornis (Plant) Rel Props:Reference: - 76. Outgoing r'ship
FOUND_INto/from Eucalyptus Urnigera (Plant) Rel Props:Reference: - 77. Outgoing r'ship
FOUND_INto/from Eucalyptus Urophylla (Plant) Rel Props:Reference: - 78. Outgoing r'ship
FOUND_INto/from Eucalyptus Viminalis (Plant) Rel Props:Reference: - 79. Outgoing r'ship
FOUND_INto/from Eucalyptus Viridis (Plant) Rel Props:Reference: - 80. Outgoing r'ship
FOUND_INto/from Eucalyptus Wandoo (Plant) Rel Props:Reference: - 81. Outgoing r'ship
FOUND_INto/from Eucalyptus Youmanii (Plant) Rel Props:Reference: