1,1,4,7-Tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
PubChem CID: 520381
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| Compound Synonyms | Aromadendrane, 6790-86-9, 1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene, NS00096286, 1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulene #, 1H-Cycloprop[e]azulene, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.beta.,4a.beta.,7.beta.,7a.beta.,7b.alpha.)]- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCCC2C2CC2C1 |
| Np Classifier Class | Aromadendrane sesquiterpenoids |
| Deep Smiles | CCCCCC5CCC3C)C))CCC7C |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CC2CCCC2C2CC2C1 |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H26 |
| Scaffold Graph Node Bond Level | C1CC2CCCC2C2CC2C1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UIDUJXXQMGYOIN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -6.144 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.87 |
| Synonyms | aromadendrane |
| Esol Class | Moderately soluble |
| Compound Name | 1,1,4,7-Tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 206.37 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -4.597112599999999 |
| Inchi | InChI=1S/C15H26/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9-14H,5-8H2,1-4H3 |
| Smiles | CC1CCC2C(C2(C)C)C3C1CCC3C |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
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FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Aesculus Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Albizia Chinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Albizzia Chinensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Alpinia Chinensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Anthocephalus Chinensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Aralia Chinensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Artemisia Chinensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Arundina Chinensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Astilbe Chinensis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Aucuba Chinensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Belamcanda Chinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Blumea Chinensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Boerhavia Chinensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Breonia Chinensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Carya Illinoinensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1409655 - 20. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Coptis Chinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Cryptocarya Chinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Cuscuta Chinensis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Desmos Chinensis (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Dianthus Chinensis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Dicliptera Chinensis (Plant) Rel Props:Reference: - 27. Outgoing r'ship
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FOUND_INto/from Fraxinus Chinensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
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FOUND_INto/from Isodon Japonicus (Plant) Rel Props:Reference: - 37. Outgoing r'ship
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FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Juniperus Chinensis (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Klaseopsis Chinensis (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Leonotis Leonurus (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Leonurus Cardiaca (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Leonurus Glaucescens (Plant) Rel Props:Reference: - 44. Outgoing r'ship
FOUND_INto/from Leonurus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 45. Outgoing r'ship
FOUND_INto/from Leonurus Persicus (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Leonurus Sibiricus (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Ligustrum Japonicus (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Listea Chinensis (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Lotus Japonicus (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Mallotus Japonicus (Plant) Rel Props:Reference: - 53. Outgoing r'ship
FOUND_INto/from Matsumurella Chinensis (Plant) Rel Props:Reference: - 54. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Reference: - 55. Outgoing r'ship
FOUND_INto/from Odontosoria Chinensis (Plant) Rel Props:Reference: - 56. Outgoing r'ship
FOUND_INto/from Ophiopogon Japonicus (Plant) Rel Props:Reference: - 57. Outgoing r'ship
FOUND_INto/from Orostachys Japonicus (Plant) Rel Props:Reference: - 58. Outgoing r'ship
FOUND_INto/from Osbeckia Chinensis (Plant) Rel Props:Reference: - 59. Outgoing r'ship
FOUND_INto/from Paederia Chinensis (Plant) Rel Props:Reference: - 60. Outgoing r'ship
FOUND_INto/from Panax Japonicus (Plant) Rel Props:Reference: - 61. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 62. Outgoing r'ship
FOUND_INto/from Persicaria Chinensis (Plant) Rel Props:Reference: - 63. Outgoing r'ship
FOUND_INto/from Petasites Japonicus (Plant) Rel Props:Reference: - 64. Outgoing r'ship
FOUND_INto/from Pistacia Chinensis (Plant) Rel Props:Reference: - 65. Outgoing r'ship
FOUND_INto/from Polygala Chinensis (Plant) Rel Props:Reference: - 66. Outgoing r'ship
FOUND_INto/from Potentilla Chinensis (Plant) Rel Props:Reference: - 67. Outgoing r'ship
FOUND_INto/from Pothos Chinensis (Plant) Rel Props:Reference: - 68. Outgoing r'ship
FOUND_INto/from Pulsatilla Chinensis (Plant) Rel Props:Reference: - 69. Outgoing r'ship
FOUND_INto/from Ranunculus Japonicus (Plant) Rel Props:Reference: - 70. Outgoing r'ship
FOUND_INto/from Rhus Chinensis (Plant) Rel Props:Reference: - 71. Outgoing r'ship
FOUND_INto/from Rosa Chinensis (Plant) Rel Props:Reference: - 72. Outgoing r'ship
FOUND_INto/from Rumex Japonicus (Plant) Rel Props:Reference: - 73. Outgoing r'ship
FOUND_INto/from Salacia Chinensis (Plant) Rel Props:Reference: - 74. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Reference: - 75. Outgoing r'ship
FOUND_INto/from Schisandra Arisanensis (Plant) Rel Props:Reference: - 76. Outgoing r'ship
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FOUND_INto/from Scolopia Chinensis (Plant) Rel Props:Reference: - 89. Outgoing r'ship
FOUND_INto/from Senecio Chinensis (Plant) Rel Props:Reference: - 90. Outgoing r'ship
FOUND_INto/from Simmondsia Chinensis (Plant) Rel Props:Reference: - 91. Outgoing r'ship
FOUND_INto/from Siphonostegia Chinensis (Plant) Rel Props:Reference: - 92. Outgoing r'ship
FOUND_INto/from Solidago Chinensis (Plant) Rel Props:Reference: - 93. Outgoing r'ship
FOUND_INto/from Sphenomeris Chinensis (Plant) Rel Props:Reference: - 94. Outgoing r'ship
FOUND_INto/from Stachys Chinensis (Plant) Rel Props:Reference: - 95. Outgoing r'ship
FOUND_INto/from Stauntonia Chinensis (Plant) Rel Props:Reference: - 96. Outgoing r'ship
FOUND_INto/from Styrax Japonicus (Plant) Rel Props:Reference: - 97. Outgoing r'ship
FOUND_INto/from Swertia Chinensis (Plant) Rel Props:Reference: - 98. Outgoing r'ship
FOUND_INto/from Symplocos Chinensis (Plant) Rel Props:Reference: - 99. Outgoing r'ship
FOUND_INto/from Tamarix Chinensis (Plant) Rel Props:Reference: - 100. Outgoing r'ship
FOUND_INto/from Taxillus Chinensis (Plant) Rel Props:Reference: - 101. Outgoing r'ship
FOUND_INto/from Taxus Chinensis (Plant) Rel Props:Reference: - 102. Outgoing r'ship
FOUND_INto/from Thermopsis Chinensis (Plant) Rel Props:Reference: - 103. Outgoing r'ship
FOUND_INto/from Trollius Chinensis (Plant) Rel Props:Reference: - 104. Outgoing r'ship
FOUND_INto/from Tsuga Chinensis (Plant) Rel Props:Reference: - 105. Outgoing r'ship
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