Bryononic acid

PubChem CID: 472768

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Compound Synonyms	Bryononic acid, Bryonolic acid, 24480-44-2, (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid, (2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-Hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-eicosahydro-picene-2-carboxylic acid, D:C-Friedoolean-8-en-29-oic acid, 3-oxo-, 24480-45-3, 3beta-Hydroxy-D-C-friedoolean-8-en-29-oic acid, CHEMBL482596, SCHEMBL25657135, DTXSID30947378, CHEBI:172017, FS-9647, (20R)-3-Oxo-D:C-friedoolean-8-en-29-oic acid, (2R,4AS,6as,8ar,12as,14as,14BR)-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylate, (2R-alpha,4abeta,6abeta,8aalpha,12abeta,14aalpha,14bbeta))- 1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-Eicosahydro-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-2-picenecarboxylic acid, (2R-alpha,4abeta,6abeta,8aalpha,12abeta,14aalpha,14bbeta))-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-Eicosahydro-2,4a,6a,9,9,12a,14a-heptamethyl-10-oxo-2-picenecarboxylic acid, 10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid, D:C-Friedoolean-8-en-29-oic acid, 3-hydroxy-, (3,20)-, D:C-Friedoolean-8-en-29-oic acid, 3-hydroxy-
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Np Classifier Class	Multiflorane triterpenoids
Deep Smiles	O[C@H]CC[C@][C@H]C6C)C))CCC=C6CC[C@@][C@]6C)CC[C@@][C@H]6C[C@@]C)CC6))C=O)O)))))C)))))C)))))))))C
Heavy Atom Count	33.0
Classyfire Class	Organooxygen compounds
Scaffold Graph Node Level	C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21
Classyfire Subclass	Alcohols and polyols
Isotope Atom Count	0.0
Molecular Complexity	902.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	8.0
Uniprot Id	Q60795
Iupac Name	(2R,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-2-carboxylic acid
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organic oxygen compounds
Xlogp	7.2
Gsk 4 400 Rule	False
Molecular Formula	C30H48O3
Scaffold Graph Node Bond Level	C1CCC2C3=C(CCC2C1)C1CCC2CCCCC2C1CC3
Prediction Swissadme	0.0
Inchi Key	BHVJSLPLFOAMEV-FPLINDMSSA-N
Silicos It Class	Poorly soluble
Fcsp3	0.9
Logs	-3.831
Rotatable Bond Count	1.0
Logd	4.502
Synonyms	20-epibryonolic acid
Esol Class	Poorly soluble
Functional Groups	CC(=O)O, CC(C)=C(C)C, CO
Compound Name	Bryononic acid
Prediction Hob Swissadme	0.0
Exact Mass	456.36
Formal Charge	0.0
Monoisotopic Mass	456.36
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	456.7
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-8.0047586
Inchi	InChI=1S/C30H48O3/c1-25(2)21-9-8-20-19(28(21,5)12-11-23(25)31)10-13-30(7)22-18-27(4,24(32)33)15-14-26(22,3)16-17-29(20,30)6/h21-23,31H,8-18H2,1-7H3,(H,32,33)/t21-,22+,23-,26+,27+,28+,29+,30-/m0/s1
Smiles	C[C@]12CC[C@@](C[C@H]1[C@@]3(CCC4=C([C@]3(CC2)C)CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)(C)C(=O)O
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 Achyranthes Japonica (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Agrimonia Japonica (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Agrimonia Pilosa (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Alnus Japonica (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Alpinia Japonica (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ampelopsis Brevipedunculata (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Ampelopsis Glandulosa (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Ampelopsis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
9. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Ardisia Japonica (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artemisia Japonica (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Atractylodes Japonica (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Aucuba Japonica (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Balanophora Japonica (Plant) Rel Props:Reference:
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17. Outgoing r'ship FOUND_IN to/from Betula Platyphylla (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Bruguiera Cylindrica (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Caesalpinia Japonica (Plant) Rel Props:Reference:
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24. Outgoing r'ship FOUND_IN to/from Chionographis Japonica (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Cimicifuga Japonica (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Citrus Japonica (Plant) Rel Props:Reference:
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29. Outgoing r'ship FOUND_IN to/from Coptis Japonica (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Coriaria Japonica (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Croomia Japonica (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Cryptotaenia Japonica (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Cucurbita Lagenaria (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Dioscorea Japonica (Plant) Rel Props:Reference:
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37. Outgoing r'ship FOUND_IN to/from Eria Japonica (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Eriobotrya Japonica (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Euchresta Japonica (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Eurya Japonica (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Euscaphis Japonica (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Forsythia Japonica (Plant) Rel Props:Reference:
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44. Outgoing r'ship FOUND_IN to/from Gentiana Japonica (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Gleditsia Japonica (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Gynura Japonica (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Hemionitis Japonica (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Heuchera Cylindrica (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Hylomecon Japonica (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Imperata Cylindrica (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Inula Japonica (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Iris Japonica (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Isodon Japonica (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Justicia Japonica (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Kadsura Japonica (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Kerria Japonica (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Korthalsella Japonica (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Lagenaria Siceraria (Plant) Rel Props:Source_db:npass_chem_all
59. Outgoing r'ship FOUND_IN to/from Lagenaria Vulgaris (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Luffa Acutangula (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Luffa Aegyptiaca (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Luffa Amara (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Luffa Bindal (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Luffa Cylindrica (Plant) Rel Props:Source_db:npass_chem_all
66. Outgoing r'ship FOUND_IN to/from Luffa Echinata (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Luffa Graveolens (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Luffa Operculata (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Luffa Pentandra (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Luffa Tuberosa (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Machilus Japonica (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Maesa Japonica (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Metaplexis Japonica (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Microtropis Japonica (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Mosla Japonica (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Othonna Cylindrica (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Rhodiola Kirilowii (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Sansevieria Cylindrica (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Tephroseris Kirilowii (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Trichosanthes Anaimalaienis (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Trichosanthes Anguina (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Trichosanthes Bracteata (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Trichosanthes Cordata (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Trichosanthes Cucumerina (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Trichosanthes Cucumeroides (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Trichosanthes Dioica (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Trichosanthes Ichiana (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
120. Outgoing r'ship FOUND_IN to/from Trichosanthes Laciniosa (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Trichosanthes Lepiniana (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Trichosanthes Lobata (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Trichosanthes Nervifolia (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Trichosanthes Palmata (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Trichosanthes Rosthornii (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Trichosanthes Tricuspidata (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Trichosanthes Wallichiana (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:

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Bryononic acid

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Phytochemical Properties

Associated Connections 128

Plant Connections 128