Ballonigrin

PubChem CID: 21596483

Connections displayed (default: 10).

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Compound Synonyms	Ballonigrin, Ballonigrine, 62340-62-9, 4MDQ9NY3C2, UNII-4MDQ9NY3C2, (1S,4S,8S,12R)-9-[2-(furan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione, 2H-Naphtho(1,8-bc)furan-2,8(2ah)-dione, 6-(2-(3-furanyl)ethyl)-3,4,5,5a,8a,8b-hexahydro-2a,5a,7-trimethyl-, (2aS,5aS,8aS,8bR)-, SCHEMBL4451477, Q27260110
Topological Polar Surface Area	56.5
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	24.0
Isotope Atom Count	0.0
Molecular Complexity	621.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(1S,4S,8S,12R)-9-[2-(furan-3-yl)ethyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-9-ene-3,11-dione
Prediction Hob	1.0
Xlogp	3.7
Molecular Formula	C20H24O4
Prediction Swissadme	1.0
Inchi Key	FREUGTILYKJVRL-LFGUQSLTSA-N
Fcsp3	0.6
Logs	-4.265
Rotatable Bond Count	3.0
Logd	3.529
Compound Name	Ballonigrin
Prediction Hob Swissadme	1.0
Exact Mass	328.167
Formal Charge	0.0
Monoisotopic Mass	328.167
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	328.4
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Esol	-4.1506962666666665
Inchi	InChI=1S/C20H24O4/c1-12-14(6-5-13-7-10-23-11-13)19(2)8-4-9-20(3)17(19)16(15(12)21)24-18(20)22/h7,10-11,16-17H,4-6,8-9H2,1-3H3/t16-,17-,19-,20+/m1/s1
Smiles	CC1=C([C@]2(CCC[C@]3([C@@H]2[C@@H](C1=O)OC3=O)C)C)CCC4=COC=C4
Nring	4.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Acnistus Arborescens (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Aloe Arborescens (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Ambrosia Arborescens (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Ardisia Arborescens (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Artemisia Arborescens (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ballota Lanata (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Ballota Limbata (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Bistorta Affinis (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Calea Cuneifolia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Calea Lantanoides (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Calea Megacephala (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Calea Pilosa (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Cassia Occidentalis (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Cephalanthus Occidentalis (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Cratoxylum Arborescens (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Datura Wrightii (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Dirca Occidentalis (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Dracocephalum Foetidum (Plant) Rel Props:Reference:
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20. Outgoing r'ship FOUND_IN to/from Dracocephalum Kotschyi (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Dracocephalum Modavicum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Dracocephalum Moldavica (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Dracocephalum Moldavicum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Dracocephalum Rupestre (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Dracocephalum Ruyschiana (Plant) Rel Props:Reference:
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28. Outgoing r'ship FOUND_IN to/from Dracocephalum Tanguticum (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Erythrina Arborescens (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Felicia Wrightii (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Hedyosmum Arborescens (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Heliotropium Arborescens (Plant) Rel Props:Reference:
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34. Outgoing r'ship FOUND_IN to/from Ilex Affinis (Plant) Rel Props:Reference:
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43. Outgoing r'ship FOUND_IN to/from Platanus Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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79. Outgoing r'ship FOUND_IN to/from Senecio Jacobaea (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Senecio Jacquemontianus (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Senecio Kaempferi (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Senecio Laetus (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Senecio Latifolius (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Senecio Longifolius (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Senecio Macrocephalus (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Senecio Macrophyllus (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Senecio Mexicanus (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Senecio Microglossus (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Senecio Miser (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Senecio Nemorensis (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Senecio Oryzetorum (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Senecio Othonniformis (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Senecio Paucicazyculatus (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Senecio Platyphylloides (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Senecio Platyphyllus (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Senecio Polyodon (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Senecio Praecox (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Senecio Pyramidatus (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Senecio Quinquelobus (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Senecio Renardii (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Senecio Retrorsus (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Senecio Roseus (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Senecio Rosmarinifolius (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Senecio Rufinervis (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Senecio Rupestris (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Senecio Sandersonii (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Senecio Sinuatus (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Senecio Speciosus (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Senecio Squalidus (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Senecio Subdentatus (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Senecio Taiwanensis (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Senecio Tenuifolius (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Senecio Tibeticus (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Senecio Toluccanus (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Senecio Tricephalus (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Senecio Vellereus (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Senecio Zoellneri (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Senna Occidentalis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Sideritis Arborescens (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Skimmia Arborescens (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Solanum Wrightii (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Stachys Affinis (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Thuja Occidentalis (Plant) Rel Props:Reference:

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Ballonigrin

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Phytochemical Properties

Associated Connections 133

Plant Connections 133