1H-4a,11-Ethanobenzo[b]cyclopropa[6,7]cyclohept[1,2-f]oxepin-6,8-dicarboxaldehyde, 1a,2,3,4,10,11,11a,11b-octahydro-7,9-dihydroxy-1,1,4,11-tetramethyl-10-(2-methylpropyl)-, (1aR,4S,4aS,10R,11R,11aR,11bR)-rel-(-)-
PubChem CID: 5317276
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Euglobal V, 77809-89-3, 1H-4a,11-Ethanobenzo[b]cyclopropa[6,7]cyclohept[1,2-f]oxepin-6,8-dicarboxaldehyde, 1a,2,3,4,10,11,11a,11b-octahydro-7,9-dihydroxy-1,1,4,11-tetramethyl-10-(2-methylpropyl)-, (1aR,4S,4aS,10R,11R,11aR,11bR)-rel-(-)-, 1H-4a,11-Ethanobenzo(b)cyclopropa(6,7)cyclohept(1,2-f)oxepin-6,8-dicarboxaldehyde, 1a,2,3,4,10,11,11a,11b-octahydro-7,9-dihydroxy-1,1,4,11-tetramethyl-10-(2-methylpropyl)-, (1aR,4S,4aS,10R,11R,11aR,11bR)-rel-(-)-, CHEBI:175632, DTXSID201098256, 5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.01,11.03,8.012,14]nonadeca-3,5,7-triene-4,6-dicarbaldehyde |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC34CCCC5CC5C3C(CC4)CC2C1 |
| Np Classifier Class | Phloroglucinol-terpene hybrids |
| Deep Smiles | O=CccOCCCCCc8ccc%12O))C=O)))O)))CCC)C))))C5CCCCC%10C))))C3C)C)))))C |
| Heavy Atom Count | 33.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of Eucalyptus globulus (Tasmanian blue gum). |
| Scaffold Graph Node Level | C1CCC2OC34CCCC5CC5C3C(CC4)CC2C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 808.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-10,13,13,17-tetramethyl-9-(2-methylpropyl)-2-oxapentacyclo[8.7.2.01,11.03,8.012,14]nonadeca-3,5,7-triene-4,6-dicarbaldehyde |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H38O5 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CC1CCC3(CCCC4CC4C13)O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BIAFCXUFUQOOMP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.7142857142857143 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | euglobal v |
| Esol Class | Poorly soluble |
| Functional Groups | cC=O, cO, cOC |
| Compound Name | 1H-4a,11-Ethanobenzo[b]cyclopropa[6,7]cyclohept[1,2-f]oxepin-6,8-dicarboxaldehyde, 1a,2,3,4,10,11,11a,11b-octahydro-7,9-dihydroxy-1,1,4,11-tetramethyl-10-(2-methylpropyl)-, (1aR,4S,4aS,10R,11R,11aR,11bR)-rel-(-)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 454.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 454.272 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 454.6 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -7.021008854545456 |
| Inchi | InChI=1S/C28H38O5/c1-14(2)11-19-20-23(32)16(12-29)22(31)17(13-30)24(20)33-28-10-9-27(19,6)25(28)21-18(26(21,4)5)8-7-15(28)3/h12-15,18-19,21,25,31-32H,7-11H2,1-6H3 |
| Smiles | CC1CCC2C(C2(C)C)C3C14CCC3(C(C5=C(C(=C(C(=C5O4)C=O)O)C=O)O)CC(C)C)C |
| Np Classifier Biosynthetic Pathway | Polyketides, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | 5,10-cycloaromadendrane sesquiterpenoids |
| Np Classifier Superclass | Phloroglucinols |
- 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: