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Eburnamenine

PubChem CID: 6857502

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Compound Synonyms Eburnamenine, (+)-Eburnamenine, Eburnamenine, (+)-, LB9CWH9GJ2, 517-30-6, (+/-)-Eburnamenine, BW9YZV9HYW, UNII-LB9CWH9GJ2, Eburnamenine, (+/-)-, (13Ar-cis)-13a-ethyl-2,3,5,6,13a,13b-hexahydro-1H-indolo(3,2,1-de)pyrido(3,2,1-ij)(1,5)naphthyridine, 1H-Indolo(3,2,1-de)pyrido(3,2,1-ij)(1,5)naphthyridine, 13a-ethyl-2,3,5,6,13a,13b-hexahydro-, (13ar-cis)-, (15R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene, 1H-Indolo(3,2,1-de)pyrido(3,2,1-ij)(1,5)naphthyridine, 13a-ethyl-2,3,5,6,13a,13b-hexahydro-, (13aR,13bR)-rel-, 62960-98-9, Rel-(13aR,13bR)-13a-ethyl-2,3,5,6,13a,13b-hexahydro-1H-indolo(3,2,1-de)pyrido(3,2,1-ij)(1,5)naphthyridine, UNII-BW9YZV9HYW, CHEMBL3912953, CHEBI:35644, DTXSID201046055, NS00093748, Q15410950
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 8.2
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CC2CCC3C4CCCCC4C4CCC(C1)C2C34
Np Classifier Class Aspidosperma type
Deep Smiles CC[C@]CCCN[C@H]6cnC=C%10))ccc5CC9)))cccc6
Heavy Atom Count 21.0
Classyfire Class Eburnan-type alkaloids
Scaffold Graph Node Level C1CCC2C(C1)C1CCN3CCCC4CCN2C1C43
Isotope Atom Count 0.0
Molecular Complexity 458.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id n.a.
Iupac Name (15R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Alkaloids and derivatives
Xlogp 3.7
Gsk 4 400 Rule False
Molecular Formula C19H22N2
Scaffold Graph Node Bond Level C1=Cn2c3c(c4ccccc42)CCN2CCCC1C32
Prediction Swissadme 0.0
Inchi Key VKTOXAGUZWAECL-RBUKOAKNSA-N
Silicos It Class Moderately soluble
Fcsp3 0.4736842105263157
Logs -4.636
Rotatable Bond Count 1.0
Logd 3.983
Synonyms eburnamenine
Esol Class Moderately soluble
Functional Groups CN(C)C, cn(c)C=CC
Compound Name Eburnamenine
Prediction Hob Swissadme 0.0
Exact Mass 278.178
Formal Charge 0.0
Monoisotopic Mass 278.178
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 278.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.141916657142857
Inchi InChI=1S/C19H22N2/c1-2-19-9-5-11-20-12-8-15-14-6-3-4-7-16(14)21(13-10-19)17(15)18(19)20/h3-4,6-7,10,13,18H,2,5,8-9,11-12H2,1H3/t18-,19+/m0/s1
Smiles CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4C=C2
Nring 5.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Tryptophan alkaloids

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  • 78. Outgoing r'ship FOUND_IN to/from Citrus X (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Citrus Yuko (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Cleyera Japonica (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Conyza Japonica (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Coptis Japonica (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Coriaria Japonica (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Croomia Japonica (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Cryptomeria Japonica (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Cryptotaenia Japonica (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Cyathula Tomentosa (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Cymbopogon Khasianus (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Dicoma Tomentosa (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Dioscorea Japonica (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Dioscorea Tomentosa (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Diospyros Japonica (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Edgeworthia Tomentosa (Plant) Rel Props:Reference:
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  • 96. Outgoing r'ship FOUND_IN to/from Eriobotrya Japonica (Plant) Rel Props:Reference:
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  • 199. Outgoing r'ship FOUND_IN to/from Salvia Lineata (Plant) Rel Props:Reference:
  • 200. Outgoing r'ship FOUND_IN to/from Salvia Mellifera (Plant) Rel Props:Reference:
  • 201. Outgoing r'ship FOUND_IN to/from Salvia Microstegia (Plant) Rel Props:Reference:
  • 202. Outgoing r'ship FOUND_IN to/from Salvia Miltiorrhiza (Plant) Rel Props:Reference:
  • 203. Outgoing r'ship FOUND_IN to/from Salvia Miniata (Plant) Rel Props:Reference:
  • 204. Outgoing r'ship FOUND_IN to/from Salvia Mirzayanii (Plant) Rel Props:Reference:
  • 205. Outgoing r'ship FOUND_IN to/from Salvia Moorcroftiana (Plant) Rel Props:Reference:
  • 206. Outgoing r'ship FOUND_IN to/from Salvia Mukerjeei (Plant) Rel Props:Reference:
  • 207. Outgoing r'ship FOUND_IN to/from Salvia Munzii (Plant) Rel Props:Reference:
  • 208. Outgoing r'ship FOUND_IN to/from Salvia Nemorosa (Plant) Rel Props:Reference:
  • 209. Outgoing r'ship FOUND_IN to/from Salvia Nubicola (Plant) Rel Props:Reference:
  • 210. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
  • 211. Outgoing r'ship FOUND_IN to/from Salvia Oxyodon (Plant) Rel Props:Reference:
  • 212. Outgoing r'ship FOUND_IN to/from Salvia Pachyphylla (Plant) Rel Props:Reference:
  • 213. Outgoing r'ship FOUND_IN to/from Salvia Palaestina (Plant) Rel Props:Reference:
  • 214. Outgoing r'ship FOUND_IN to/from Salvia Parryi (Plant) Rel Props:Reference:
  • 215. Outgoing r'ship FOUND_IN to/from Salvia Patens (Plant) Rel Props:Reference:
  • 216. Outgoing r'ship FOUND_IN to/from Salvia Pisidica (Plant) Rel Props:Reference:
  • 217. Outgoing r'ship FOUND_IN to/from Salvia Plebeia (Plant) Rel Props:Reference:
  • 218. Outgoing r'ship FOUND_IN to/from Salvia Polystachya (Plant) Rel Props:Reference:
  • 219. Outgoing r'ship FOUND_IN to/from Salvia Pratensis (Plant) Rel Props:Reference:
  • 220. Outgoing r'ship FOUND_IN to/from Salvia Prionitis (Plant) Rel Props:Reference:
  • 221. Outgoing r'ship FOUND_IN to/from Salvia Przewalskii (Plant) Rel Props:Reference:
  • 222. Outgoing r'ship FOUND_IN to/from Salvia Przewalskll (Plant) Rel Props:Reference:
  • 223. Outgoing r'ship FOUND_IN to/from Salvia Roborowskii (Plant) Rel Props:Reference:
  • 224. Outgoing r'ship FOUND_IN to/from Salvia Scalarea (Plant) Rel Props:Reference:
  • 225. Outgoing r'ship FOUND_IN to/from Salvia Sclarea (Plant) Rel Props:Reference:
  • 226. Outgoing r'ship FOUND_IN to/from Salvia Sessei (Plant) Rel Props:Reference:
  • 227. Outgoing r'ship FOUND_IN to/from Salvia Sinica (Plant) Rel Props:Reference:
  • 228. Outgoing r'ship FOUND_IN to/from Salvia Spinosa (Plant) Rel Props:Reference:
  • 229. Outgoing r'ship FOUND_IN to/from Salvia Splendens (Plant) Rel Props:Reference:
  • 230. Outgoing r'ship FOUND_IN to/from Salvia Spp (Plant) Rel Props:Reference:
  • 231. Outgoing r'ship FOUND_IN to/from Salvia Staminea (Plant) Rel Props:Reference:
  • 232. Outgoing r'ship FOUND_IN to/from Salvia Syriaca (Plant) Rel Props:Reference:
  • 233. Outgoing r'ship FOUND_IN to/from Salvia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 234. Outgoing r'ship FOUND_IN to/from Salvia Trijuga (Plant) Rel Props:Reference:
  • 235. Outgoing r'ship FOUND_IN to/from Salvia Urolepis (Plant) Rel Props:Reference:
  • 236. Outgoing r'ship FOUND_IN to/from Salvia Verbenaca (Plant) Rel Props:Reference:
  • 237. Outgoing r'ship FOUND_IN to/from Salvia Virgata (Plant) Rel Props:Reference:
  • 238. Outgoing r'ship FOUND_IN to/from Salvia Viridis (Plant) Rel Props:Reference:
  • 239. Outgoing r'ship FOUND_IN to/from Salvia Wiedemannii (Plant) Rel Props:Reference:
  • 240. Outgoing r'ship FOUND_IN to/from Salvia Xalapensis (Plant) Rel Props:Reference:
  • 241. Outgoing r'ship FOUND_IN to/from Salvia Yosgadensis (Plant) Rel Props:Reference:
  • 242. Outgoing r'ship FOUND_IN to/from Salvia Yunnanensis (Plant) Rel Props:Reference:
  • 243. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
  • 244. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
  • 245. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
  • 246. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
  • 247. Outgoing r'ship FOUND_IN to/from Sophora Tomentosa (Plant) Rel Props:Reference:
  • 248. Outgoing r'ship FOUND_IN to/from Sorbaria Tomentosa (Plant) Rel Props:Reference:
  • 249. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
  • 250. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
  • 251. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
  • 252. Outgoing r'ship FOUND_IN to/from Stephania Japonica (Plant) Rel Props:Reference:
  • 253. Outgoing r'ship FOUND_IN to/from Strychnos Tomentosa (Plant) Rel Props:Reference:
  • 254. Outgoing r'ship FOUND_IN to/from Swertia Japonica (Plant) Rel Props:Reference:
  • 255. Outgoing r'ship FOUND_IN to/from Terminalia Tomentosa (Plant) Rel Props:Reference:
  • 256. Outgoing r'ship FOUND_IN to/from Ternstroemia Japonica (Plant) Rel Props:Reference:
  • 257. Outgoing r'ship FOUND_IN to/from Tilia Japonica (Plant) Rel Props:Reference:
  • 258. Outgoing r'ship FOUND_IN to/from Tinospora Tomentosa (Plant) Rel Props:Reference:
  • 259. Outgoing r'ship FOUND_IN to/from Torilis Japonica (Plant) Rel Props:Reference:
  • 260. Outgoing r'ship FOUND_IN to/from Trapa Japonica (Plant) Rel Props:Reference:
  • 261. Outgoing r'ship FOUND_IN to/from Trema Tomentosa (Plant) Rel Props:Reference:
  • 262. Outgoing r'ship FOUND_IN to/from Uncaria Tomentosa (Plant) Rel Props:Reference:
  • 263. Outgoing r'ship FOUND_IN to/from Vepris Bilocularis (Plant) Rel Props:Reference:
  • 264. Outgoing r'ship FOUND_IN to/from Vepris Louisii (Plant) Rel Props:Reference:
  • 265. Outgoing r'ship FOUND_IN to/from Vepris Nobilis (Plant) Rel Props:Reference:
  • 266. Outgoing r'ship FOUND_IN to/from Vepris Pilosa (Plant) Rel Props:Reference:
  • 267. Outgoing r'ship FOUND_IN to/from Vepris Punctata (Plant) Rel Props:Reference:
  • 268. Outgoing r'ship FOUND_IN to/from Vitis Tomentosa (Plant) Rel Props:Reference:
  • 269. Outgoing r'ship FOUND_IN to/from Wrightia Tomentosa (Plant) Rel Props:Reference:
  • 270. Outgoing r'ship FOUND_IN to/from Xantolis Tomentosa (Plant) Rel Props:Reference:
  • 271. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:
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