Carneic acid B

PubChem CID: 16083153

Connections displayed (default: 10).

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Compound Synonyms	CARNEIC ACID B, (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid, CHEMBL498066, CHEBI:198735, DTXSID801099488, 910468-90-5, (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-1,2,4a,5,6,7,8,8a-Octahydro-5-hydroxy-2-[(1E)-3-hydroxy-1-methyl-1-propen-1-yl]-3,8-dimethyl-1-naphthalenyl]-2,4-pentadienoic acid
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	25.0
Isotope Atom Count	0.0
Molecular Complexity	599.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	6.0
Iupac Name	(2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
Nih Violation	False
Prediction Hob	0.0
Xlogp	2.9
Is Pains	False
Molecular Formula	C21H30O4
Prediction Swissadme	1.0
Inchi Key	YGIXVFNOSSPFLR-RYAGCBDWSA-N
Fcsp3	0.5714285714285714
Logs	-2.871
Rotatable Bond Count	5.0
Logd	1.477
Compound Name	Carneic acid B
Prediction Hob Swissadme	0.0
Exact Mass	346.214
Formal Charge	0.0
Brenk Violation	True
Monoisotopic Mass	346.214
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	346.5
Covalent Unit Count	1.0
Total Atom Stereocenter Count	6.0
Total Bond Stereocenter Count	3.0
Esol	-3.5039954000000004
Inchi	InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1
Smiles	C[C@@H]1CC[C@H]([C@H]2[C@H]1[C@H]([C@H](C(=C2)C)/C(=C/CO)/C)/C=C/C=C/C(=O)O)O
Nring	2.0
Defined Bond Stereocenter Count	3.0

1. Outgoing r'ship FOUND_IN to/from Ajania Fastigiata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Andira Retusa (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Bauhinia Retusa (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Breynia Retusa (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Bridelia Crenulata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Bridelia Ferruginea (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Bridelia Montana (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Bridelia Moonii (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Bridelia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
10. Outgoing r'ship FOUND_IN to/from Bridelia Scandens (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Bridelia Stipularis (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Bridelia Tomentosa (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Careya Arborea (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Carmona Retusa (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Cassinia Subtropica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Cassiope Fastigiata (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Conyza Blinii (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Crotalaria Retusa (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Daphne Retusa (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Euphorbia Retusa (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Ficus Retusa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Homonoia Retusa (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Hypolaena Fastigiata (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Lonicera Angustifolia (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Lonicera Bournei (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Lonicera Caerulea (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Lonicera Confusa (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Lonicera Dasystyla (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Lonicera Fulvotomentosa (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Lonicera Hypoglauca (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Lonicera Hypoleuca (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Lonicera Implexa (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Lonicera Korolkowii (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Lonicera Leschenaultii (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Lonicera Macrantha (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Lonicera Macranthoides (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Lonicera Morrowii (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Lonicera Periclymenum (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Lonicera Quinquelocularis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Lonicera Similis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Lonicera Spinosa (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Lonicera Tatarica (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Maytenus Retusa (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Planchonia Valida (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Podocarpus Amarus (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Podocarpus Blumei (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Podocarpus Dacrydioides (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Podocarpus Elatus (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Podocarpus Elongata (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Podocarpus Elongatus (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Podocarpus Hallii (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Podocarpus Henckelii (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Podocarpus Macrophyllus (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Podocarpus Minor (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Podocarpus Montanus (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Podocarpus Nagi (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Podocarpus Nakaii (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Podocarpus Neriifolius (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Podocarpus Nivalis (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Podocarpus Nubigenus (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Podocarpus Philippinensis (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Podocarpus Polystachyus (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Podocarpus Salignus (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Podocarpus Sellowii (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Podocarpus Spicatus (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Rhodiola Fastigiata (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Rhynchostylis Retusa (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Senecio Abrotanifolius (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Senecio Adenophyllus (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Senecio Alpinus (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Senecio Ambraceus (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Senecio Asper (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Senecio Aureus (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Senecio Behnii (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Senecio Brasiliensis (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Senecio Candollei (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Senecio Cappa (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Senecio Cathcartensis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Senecio Chionophilus (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Senecio Chrysanthemoides (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Senecio Coahuilensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Senecio Congestus (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Senecio Densiflorus (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Senecio Desfontainei (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Senecio Dolichodoryius (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Senecio Eremophilus (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Senecio Erraticus (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Senecio Flammeus (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Senecio Flavus (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Senecio Fuertesii (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Senecio Gilliesi (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Senecio Graciliflorus (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Senecio Grandiflorus (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Senecio Heliopsis (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Senecio Hohenackeri (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Senecio Integerrimus (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Senecio Isatideus (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Senecio Jacobaea (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Senecio Jacquemontianus (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Senecio Kaempferi (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Senecio Laetus (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Senecio Latifolius (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Senecio Longifolius (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Senecio Macrocephalus (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Senecio Macrophyllus (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Senecio Mexicanus (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Senecio Microglossus (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Senecio Miser (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Senecio Nemorensis (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Senecio Oryzetorum (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Senecio Othonniformis (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Senecio Paucicazyculatus (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Senecio Platyphylloides (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Senecio Platyphyllus (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Senecio Polyodon (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Senecio Praecox (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Senecio Pyramidatus (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Senecio Quinquelobus (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Senecio Renardii (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Senecio Retrorsus (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Senecio Roseus (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Senecio Rosmarinifolius (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Senecio Rufinervis (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Senecio Rupestris (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Senecio Sandersonii (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Senecio Sinuatus (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Senecio Speciosus (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Senecio Squalidus (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Senecio Subdentatus (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Senecio Taiwanensis (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Senecio Tenuifolius (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Senecio Tibeticus (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Senecio Toluccanus (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Senecio Tricephalus (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Senecio Vellereus (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Senecio Zoellneri (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Sida Retusa (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Wikstroemia Retusa (Plant) Rel Props:Reference:

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Carneic acid B

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Phytochemical Properties

Associated Connections 150

Plant Connections 150