[(4aR,5S,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[(2E)-3-methylpenta-2,4-dienyl]-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate

PubChem CID: 44343868

Connections displayed (default: 10).

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Compound Synonyms	CHEMBL117371
Topological Polar Surface Area	69.7
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	29.0
Isotope Atom Count	0.0
Molecular Complexity	746.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	[(4aR,5S,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[(2E)-3-methylpenta-2,4-dienyl]-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate
Prediction Hob	0.0
Xlogp	4.2
Molecular Formula	C24H34O5
Prediction Swissadme	0.0
Inchi Key	QHDZTMQWNIFZKY-IILVVSKTSA-N
Fcsp3	0.625
Logs	-3.552
Rotatable Bond Count	9.0
Logd	1.974
Compound Name	[(4aR,5S,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[(2E)-3-methylpenta-2,4-dienyl]-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate
Prediction Hob Swissadme	0.0
Exact Mass	402.241
Formal Charge	0.0
Monoisotopic Mass	402.241
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	402.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	1.0
Esol	-4.4002922
Inchi	InChI=1S/C24H34O5/c1-7-16(2)8-10-23(6)17(3)9-11-24(15-29-19(5)26)20(14-28-18(4)25)12-21(27)13-22(23)24/h7-8,12,17,22H,1,9-11,13-15H2,2-6H3/b16-8+/t17-,22+,23-,24-/m0/s1
Smiles	C[C@H]1CC[C@]2([C@@H]([C@@]1(C)C/C=C(\C)/C=C)CC(=O)C=C2COC(=O)C)COC(=O)C
Nring	2.0
Defined Bond Stereocenter Count	1.0

1. Outgoing r'ship FOUND_IN to/from Annona Montana (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aralia Montana (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Aristolochia Triangularis (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Arnica Montana (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artemisia Montana (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Astragalus Flexuosus (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Barbacenia Flava (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Blumeopsis Flava (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Bridelia Montana (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Briedelia Montana (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Cassia Montana (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Clematis Montana (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Commelina Paludosa (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Corydalis Montana (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Curcuma Montana (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Cymbopogon Caesius (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Cymbopogon Citratus (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Cymbopogon Coloratus (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Cymbopogon Commutatus (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Cymbopogon Densiflorus (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Cymbopogon Distans (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Cymbopogon Flexuosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
23. Outgoing r'ship FOUND_IN to/from Cymbopogon Goeringii (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Cymbopogon Jwarancusa (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Cymbopogon Khasianum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Cymbopogon Khasianus (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Cymbopogon Martini (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Cymbopogon Martinii (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Cymbopogon Microstachys (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Cymbopogon Nardus (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Cymbopogon Osmastonii (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Cymbopogon Pendulus (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Cymbopogon Pospischilii (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Cymbopogon Procerus (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Cymbopogon Schoenanthus (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Cymbopogon Sennaarensis (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Cymbopogon Winterianus (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Diospyros Montana (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Gentianopsis Paludosa (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Glycosmis Montana (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Gymnosporia Montana (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Hedysarum Connatum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Hedysarum Denticulatum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Hedysarum Gangeticum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Hedysarum Gmelini (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Hedysarum Multijugum (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Hedysarum Polybotrys (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Hedysarum Sachalinense (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Hedysarum Theinum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Hedysarum Triflorum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Hedysarum Tuberosa (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Hedysarum Tuberosum (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Heimia Myrtifolia (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Heimia Salicifolia (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Jasione Montana (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Jasonia Montana (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Jatropha Montana (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Knautia Montana (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Laggera Flava (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Limnocharis Flava (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Maesa Montana (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Magnolia Montana (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Mimosa Tenuiflora (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Ormosia Flava (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Oxalis Acetosella (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Oxalis Corniculata (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Oxalis Latifolia (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Oxalis Purpurea (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Oxalis Repens (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Oxalis Triangularis (Plant) Rel Props:Source_db:npass_chem_all
71. Outgoing r'ship FOUND_IN to/from Oxalis Tuberosa (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Penianthus Zenkeri (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Phoenix Paludosa (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Phyllanthus Flexuosus (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Pueraria Montana (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Ruta Montana (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Salvia Flava (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Sarracenia Flava (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Satureja Montana (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Schizanthus Tricolor (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Senna Montana (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Terminalia Alata (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Terminalia Arjuna (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Terminalia Bellerica (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Terminalia Bellirica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Terminalia Bialata (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Terminalia Brachystemma (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Terminalia Calamansanay (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Terminalia Catappa (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Terminalia Chebula (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Terminalia Citrina (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Terminalia Coriacea (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Terminalia Crenulata (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Terminalia Elliptica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Terminalia Macroptera (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Terminalia Myriocarpa (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Terminalia Pallida (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Terminalia Procera (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Terminalia Travancorensis (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Tylophora Flava (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Urtica Triangularis (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Vernicia Montana (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Wedelia Biflora (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Wedelia Calendulacea (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Wedelia Chinensis (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Wedelia Prostrata (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Wedelia Scaberrima (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Zephyranthes Flava (Plant) Rel Props:Reference:

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[(4aR,5S,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[(2E)-3-methylpenta-2,4-dienyl]-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate

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Phytochemical Properties

Associated Connections 110

Plant Connections 110