Buxamine A

PubChem CID: 5468622

Connections displayed (default: 10).

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Compound Synonyms	Buxamine A, 36127-40-9, CHEMBL1651047, CHEBI:70428, (6S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-N,N,7,7,12,16-hexamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine, NSC672961, DTXSID60957546, BDBM50335591, NSC-672961, NCI60_025856, Q27138766, B(9a)-Homo-19-norpregna-9(11),20-diamine, N,N,N',N',4,4,14-heptamethyl-, (3.beta.,5.alpha.,20S)-, N~3~,N~3~,N~20~,N~20~,4,4,14-Heptamethyl-9,19-cyclo-9,10-secopregna-9(11),10-diene-3,20-diamine
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	6.5
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2CC3CCC4CCCC4C3CCC2C1
Np Classifier Class	Steroidal alkaloids
Deep Smiles	CN[C@H][C@H]CC[C@@][C@]5C)CC=C[C@H]6CC[C@@H]C=C7)CC[C@@H]C6C)C))NC)C))))))))))))))C)))))C))C
Heavy Atom Count	30.0
Classyfire Class	Steroids and steroid derivatives
Scaffold Graph Node Level	C1CCC2CC3CCC4CCCC4C3CCC2C1
Classyfire Subclass	Steroidal alkaloids
Isotope Atom Count	0.0
Molecular Complexity	729.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	7.0
Uniprot Id	P22303
Iupac Name	(6S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-N,N,7,7,12,16-hexamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Target Id	NPT204
Xlogp	6.4
Gsk 4 400 Rule	False
Molecular Formula	C28H48N2
Scaffold Graph Node Bond Level	C1=C2CCCCC2CCC2C1=CCC1CCCC12
Prediction Swissadme	0.0
Inchi Key	ZUILVKYUNYJWMV-JTRBZCFYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.8571428571428571
Logs	-5.057
Rotatable Bond Count	3.0
Logd	4.46
Synonyms	buxamine a
Esol Class	Poorly soluble
Functional Groups	CC=C(C)C=C(C)C, CN(C)C
Compound Name	Buxamine A
Prediction Hob Swissadme	0.0
Exact Mass	412.382
Formal Charge	0.0
Monoisotopic Mass	412.382
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	412.7
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	7.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-6.207577200000001
Inchi	InChI=1S/C28H48N2/c1-19(29(6)7)22-15-17-28(5)24-12-11-23-20(18-21(24)14-16-27(22,28)4)10-13-25(30(8)9)26(23,2)3/h14,18-19,22-25H,10-13,15-17H2,1-9H3/t19-,22+,23+,24+,25-,27+,28-/m0/s1
Smiles	C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4C(=C3)CC[C@@H](C4(C)C)N(C)C)C)C)N(C)C
Nring	4.0
Np Classifier Biosynthetic Pathway	Alkaloids, Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	False
Np Classifier Superclass	Pseudoalkaloids

1. Outgoing r'ship FOUND_IN to/from Abies Excelsa (Plant) Rel Props:Reference:
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20. Outgoing r'ship FOUND_IN to/from Aconitum Excelsum (Plant) Rel Props:Reference:
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49. Outgoing r'ship FOUND_IN to/from Aconitum Lycoctonum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Aconitum Nagarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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60. Outgoing r'ship FOUND_IN to/from Aconitum Pseudohuiliense (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Aconitum Richardsonianum (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Aconitum Rotundifolium (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Aconitum Sachalinense (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Aconitum Sajanense (Plant) Rel Props:Reference:
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66. Outgoing r'ship FOUND_IN to/from Aconitum Soongaricum (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Aconitum Subcuneatum (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Aconitum Sungpanense (Plant) Rel Props:Reference:
69. Outgoing r'ship FOUND_IN to/from Aconitum Talassicum (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Aconitum Tanguticum (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Aconitum Tasiromontanum (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Aconitum Tianschanicum (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Aconitum Triphyllum (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Aconitum Umbrosum (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Aconitum Variegatum (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorini (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorinianum (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Aconitum Violaceum (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Aconitum Volubile (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Aconitum Zuccarini (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Ailanthus Excelsa (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Aloe Arborescens (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Alphitonia Macrocarpa (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Altingia Excelsa (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Ambrosia Ambrosioids (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Ambrosia Arborescens (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Ambrosia Artemisiifolia (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Ambrosia Chamissonis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Ambrosia Confertiflora (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Ambrosia Cumanensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Ambrosia Dumosa (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Ambrosia Grayi (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Ambrosia Hispida (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Ambrosia Maritima (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Ambrosia Polystachya (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Ambrosia Psilostachya (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Ambrosia Tenuifolia (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Attalea Excelsa (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Bryopsis Pennata (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Buxus Balearica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Buxus Bodinieri (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Buxus Hildebrandtii (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Buxus Malaiana (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Buxus Microphylla (Plant) Rel Props:Reference:
105. Outgoing r'ship FOUND_IN to/from Buxus Natalensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
106. Outgoing r'ship FOUND_IN to/from Buxus Papillosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
107. Outgoing r'ship FOUND_IN to/from Buxus Rolfei (Plant) Rel Props:Reference:
108. Outgoing r'ship FOUND_IN to/from Buxus Sempervirens (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Buxus Wallichiana (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Cassine Papillosa (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Cinchona Excelsa (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Coptis Deltoidea (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Dioscorea Deltoidea (Plant) Rel Props:Reference:
114. Outgoing r'ship FOUND_IN to/from Euclea Natalensis (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Helicia Excelsa (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Himalaiella Deltoidea (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Hippocratea Excelsa (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Ilex Excelsa (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Juniperus Excelsa (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Knightia Excelsa (Plant) Rel Props:Reference:
121. Outgoing r'ship FOUND_IN to/from Libocedrus Plumosa (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Macaranga Bicolor (Plant) Rel Props:Reference:
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124. Outgoing r'ship FOUND_IN to/from Macaranga Denticulata (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Macaranga Indica (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Macaranga Peltata (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Macaranga Roxburghi (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Macaranga Tanarius (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Macaranga Triloba (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Milicia Excelsa (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Picrasma Excelsa (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Pinus Excelsa (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Stachys Plumosa (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Tanacetum Argenteum (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Tanacetum Balsamitoides (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Tanacetum Cinerariifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
138. Outgoing r'ship FOUND_IN to/from Tanacetum Coccineum (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Tanacetum Dolichophyllum (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Tanacetum Gracile (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Tanacetum Himachalensis (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Tanacetum Microphyllum (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Tanacetum Nanam (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Tanacetum Nubigenum (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Tanacetum Parthenifolium (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Tanacetum Parthenium (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Tanacetum Praeteritum (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Tanacetum Santolina (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Tanacetum Santolinoides (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Tanacetum Sibiricum (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Tetracera Alnifolia (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Zaluzania Grayana (Plant) Rel Props:Reference:

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Buxamine A

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Phytochemical Properties

Associated Connections 153

Plant Connections 153