Canophyllal

PubChem CID: 12302400

Connections displayed (default: 10).

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Compound Synonyms	Canophyllal, 14440-40-5, (4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bS)-2,2,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-4a-carbaldehyde, 28-Oxo-D:A-friedooleanan-3-one, 3-oxofriedelan-28-al, friedelane-3-one-28-al, CHEBI:132345, HY-N8428, AKOS040761455, DA-62030, CS-0144148, (4aS,6aR,6bS,8aS,9R,12aS,12bS,14aS,14bS)-2,2,6a,8a,9,12b,14a-heptamethyl-10-oxoicosahydropicene-4a(2H)-carbaldehyde
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CCC2C(CCC3C2CCC2C4CCCCC4CCC23)C1
Np Classifier Class	Friedelane triterpenoids
Deep Smiles	O=C[C@]CCCC[C@H]6[C@][C@@]CC%10))C)[C@H]CC[C@][C@H][C@@]6CC%10))C))CCC=O)[C@@H]6C))))))C))))))C))))C)C
Heavy Atom Count	32.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	OC1CCC2C(CCC3C2CCC2C4CCCCC4CCC23)C1
Classyfire Subclass	Triterpenoids
Isotope Atom Count	0.0
Molecular Complexity	829.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	9.0
Iupac Name	(4aS,6aS,6aR,6bS,8aS,9R,12aS,14aS,14bS)-2,2,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-4a-carbaldehyde
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	8.1
Gsk 4 400 Rule	False
Molecular Formula	C30H48O2
Scaffold Graph Node Bond Level	O=C1CCC2C(CCC3C2CCC2C4CCCCC4CCC23)C1
Prediction Swissadme	0.0
Inchi Key	ONRNCDHSZVITNY-TWWFCBCGSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.9333333333333332
Logs	-5.764
Rotatable Bond Count	1.0
Logd	4.727
Synonyms	canophyllal
Esol Class	Poorly soluble
Functional Groups	CC(C)=O, CC=O
Compound Name	Canophyllal
Prediction Hob Swissadme	0.0
Exact Mass	440.365
Formal Charge	0.0
Monoisotopic Mass	440.365
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	440.7
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	9.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-7.590514400000003
Inchi	InChI=1S/C30H48O2/c1-20-21(32)8-9-22-26(20,4)11-10-23-27(22,5)13-14-29(7)24-18-25(2,3)12-16-30(24,19-31)17-15-28(23,29)6/h19-20,22-24H,8-18H2,1-7H3/t20-,22+,23-,24-,26+,27-,28+,29-,30+/m0/s1
Smiles	C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C=O)C)C)C)C
Nring	5.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Triterpenoids

1. Outgoing r'ship FOUND_IN to/from Aconitum Umbrosum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Adina Cordifolia (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Alchornea Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
4. Outgoing r'ship FOUND_IN to/from Alchornea Floribunda (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Alchornea Tiliifolia (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Alchornea Trewioides (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Aleurites Fordii (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Antidesma Montanum (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9788185042114
9. Outgoing r'ship FOUND_IN to/from Artemisia Bigelovii (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Barbacenia Flava (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Basella Cordifolia (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Blumeopsis Flava (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Calophyllum Apetalum (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Calophyllum Austroindicum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Calophyllum Brasiliense (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Calophyllum Calaba (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Calophyllum Caledonicum (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Calophyllum Dispar (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Calophyllum Inophyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
20. Outgoing r'ship FOUND_IN to/from Calophyllum Lanigerum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Calophyllum Moonii (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Calophyllum Polyanthum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Calophyllum Soulattri (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Calophyllum Teysmannii (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Calophyllum Thwaitesii (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Calophyllum Tomentosum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Calophyllum Trapezifolium (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Cassine Glauca (Plant) Rel Props:Reference:ISBN:9788172360481
29. Outgoing r'ship FOUND_IN to/from Cassine Paniculata (Plant) Rel Props:Reference:ISBN:9770972795006
30. Outgoing r'ship FOUND_IN to/from Castanopsis Lanceifolia (Plant) Rel Props:Reference:ISBN:9788185042084
31. Outgoing r'ship FOUND_IN to/from Clinopodium Umbrosum (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Crossosoma Bigelovii (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Cynanchum Wilfordii (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Echinopepon Bigelovii (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Erlangea Cordifolia (Plant) Rel Props:Reference:
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39. Outgoing r'ship FOUND_IN to/from Gutenbergia Cordifolia (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Haldina Cordifolia (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Helenium Bigelovii (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Indigofera Cordifolia (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Jasminum Calophyllum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Laggera Flava (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Lasianthus Fordii (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Leptosyne Bigelovii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
47. Outgoing r'ship FOUND_IN to/from Limnocharis Flava (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Mentha Cordifolia (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Micranthemum Umbrosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
50. Outgoing r'ship FOUND_IN to/from Mikania Cordifolia (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Nephrolepis Cordifolia (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Nervilia Fordii (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Ormosia Flava (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
54. Outgoing r'ship FOUND_IN to/from Ormosia Fordiana (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Ormosia Hosiei (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Ormosia Travancoria (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Phlegmariurus Fordii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
58. Outgoing r'ship FOUND_IN to/from Phlegmariurus Phlegmaria (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Phlegmariurus Yunnanensis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Priva Cordifolia (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Rabia Cordifolia (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Rubia Cordifolia (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Salvia Flava (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Sarracenia Flava (Plant) Rel Props:Reference:
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66. Outgoing r'ship FOUND_IN to/from Sida Cordifolia (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Sideritis Arborescens (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Sideritis Argosphacelus (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Sideritis Brevibracteata (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Sideritis Chamaedryfolia (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Sideritis Condensata (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Sideritis Cystosiphon (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Sideritis Dasygnaphala (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Sideritis Euboea (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Sideritis Ferrensis (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Sideritis Flavovirens (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Sideritis Grandiflora (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Sideritis Hirsuta (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Sideritis Lanata (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Sideritis Lotsyi (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Sideritis Nutans (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Sideritis Perfoliata (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Sideritis Romana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
84. Outgoing r'ship FOUND_IN to/from Sideritis Soluta (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Sideritis Syriaca (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Sideritis Tragoriganum (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Sideritis Trojana (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Stevia Alpina (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Stevia Aristata (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Stevia Berlandieri (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Stevia Chamaedrys (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Stevia Connata (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Stevia Mercedensis (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Stevia Origanoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
95. Outgoing r'ship FOUND_IN to/from Stevia Paniculata (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Stevia Polycephala (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Stevia Purpurea (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Stevia Rebaudiana (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Stevia Salicifolia (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Stevia Serrata (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Thladiantha Cordifolia (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Tinospora Cordifolia (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Trichilia Catigua (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Trichilia Claussenii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
105. Outgoing r'ship FOUND_IN to/from Trichilia Connaroides (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Trichilia Dregeana (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Trichilia Havanensis (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Trichilia Heudelotii (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Trichilia Hirta (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Trichilia Rubescens (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Tripterygium Doianum (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Tripterygium Hypoglaucum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
113. Outgoing r'ship FOUND_IN to/from Tripterygium Regelii (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Tripterygium Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
115. Outgoing r'ship FOUND_IN to/from Triumfetta Cordifolia (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Tylophora Flava (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Vernicia Fordii (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Viguiera Cordifolia (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Zephyranthes Flava (Plant) Rel Props:Reference:

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Canophyllal

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Phytochemical Properties

Associated Connections 119

Plant Connections 119