Isoplumericin

PubChem CID: 5281543

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Compound Synonyms	Isoplumericin, 31298-76-7, CHEBI:6042, methyl (1S,4S,8R,10S,11Z,14S)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate, CHEMBL463014, C09787, DTXSID801317662, Q27107001
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1CC23CCC4CCCC(CC2C1C)C43
Np Classifier Class	Iridoids monoterpenoids
Deep Smiles	COC=O)C=CO[C@H][C@H][C@@H]6C=C[C@]5OC=O)/C=CC))/[C@@H]5O%11
Heavy Atom Count	21.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	CC1C(O)OC23CCC4CCOC(OC12)C43
Classyfire Subclass	Terpene lactones
Isotope Atom Count	0.0
Molecular Complexity	630.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	5.0
Uniprot Id	n.a.
Iupac Name	methyl (1S,4S,8R,10S,11Z,14S)-11-ethylidene-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	0.8
Gsk 4 400 Rule	True
Molecular Formula	C15H14O6
Scaffold Graph Node Bond Level	C=C1C(=O)OC23C=CC4C=COC(OC12)C43
Prediction Swissadme	1.0
Inchi Key	VFXXNAVZODKBIW-SIEBBUFOSA-N
Silicos It Class	Soluble
Fcsp3	0.4666666666666667
Logs	-3.051
Rotatable Bond Count	2.0
Logd	1.217
Synonyms	isoplumericin
Esol Class	Soluble
Functional Groups	C/C=C1/CCOC1=O, CC=CC, COC(=O)C1=CO[C@H](OC)CC1
Compound Name	Isoplumericin
Prediction Hob Swissadme	1.0
Exact Mass	290.079
Formal Charge	0.0
Monoisotopic Mass	290.079
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	290.27
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	5.0
Total Bond Stereocenter Count	1.0
Lipinski Rule Of 5	True
Esol	-2.0053802
Inchi	InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3-/t8-,10-,11+,14-,15+/m1/s1
Smiles	C/C=C\1/[C@H]2[C@@]3(C=C[C@H]4[C@@H]3[C@@H](O2)OC=C4C(=O)OC)OC1=O
Nring	4.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Np Classifier Superclass	Monoterpenoids

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80. Outgoing r'ship FOUND_IN to/from Agathis Lanceolata (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Agave Angustifolia (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Allamanda Blanchetii (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Allamanda Cathartica (Plant) Rel Props:Source_db:npass_chem_all
84. Outgoing r'ship FOUND_IN to/from Allamanda Schottii (Plant) Rel Props:Source_db:npass_chem_all
85. Outgoing r'ship FOUND_IN to/from Alstonia Angustifolia (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Althaea Officinalis (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Althea Officinalis (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Anchusa Officinalis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Antiaris Welwitschii (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Araucaria Angustifolia (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Asparagus Officinalis (Plant) Rel Props:Reference:
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95. Outgoing r'ship FOUND_IN to/from Avicennia Officinalis (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Baccharis Angustifolia (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Backhousia Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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135. Outgoing r'ship FOUND_IN to/from Dioscorea Deltoidea (Plant) Rel Props:Reference:
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145. Outgoing r'ship FOUND_IN to/from Dioscorea Nipponica (Plant) Rel Props:Reference:
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191. Outgoing r'ship FOUND_IN to/from Juniperus Ashei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
192. Outgoing r'ship FOUND_IN to/from Juniperus Bermudiana (Plant) Rel Props:Reference:
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215. Outgoing r'ship FOUND_IN to/from Juniperus Squamata (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Juniperus Taiwaniana (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Juniperus Thurifera (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Juniperus Virginiana (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Kadsura Angustifolia (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Kaempferia Angustifolia (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Kalanchoe Blossfeldiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
222. Outgoing r'ship FOUND_IN to/from Kalanchoe Integra (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Kalanchoe Laciniata (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Kalanchoe Lanceolata (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Kalanchoe Marmorata (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Kalanchoe Pinnata (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Kalanchoe Spathulata (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Kopsia Officinalis (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Lagerstroemia Lanceolata (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Laricifomes Officinalis (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Lavandula Angustifolia (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Lavandula Officinalis (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Lonicera Angustifolia (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Magnolia Officinalis (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Mandragora Officinalis (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Melilotus Officinalis (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Meliosma Lanceolata (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Melissa Officinalis (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Meryta Lanceolata (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Morinda Angustifolia (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Myristica Officinalis (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Nauclea Officinalis (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Neolitsea Villosa (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Ochna Lanceolata (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Ophelia Angustifolia (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Oreoherzogia Fallax (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Osyris Lanceolata (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Paeonia Officinalis (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Patrinia Villosa (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Pentas Lanceolata (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Petasites Officinalis (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Phoebe Lanceolata (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Pimenta Officinalis (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Plantago Lanceolata (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Pluchea Lanceolata (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Plumeria Rubra (Plant) Rel Props:Reference:ISBN:9788172361150
257. Outgoing r'ship FOUND_IN to/from Polygala Fallax (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Populus Angustifolia (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Pothos Officinalis (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Prunus Salicina (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Pterocarpus Officinalis (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Pulicaria Angustifolia (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Pyrrosia Lanceolata (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Quisqualis Indica (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Rabdosia Angustifolia (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Rhamnus Cathartica (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Rhus Lanceolata (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Rosmarinus Officinalis (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Ruta Angustifolia (Plant) Rel Props:Reference:
270. Outgoing r'ship FOUND_IN to/from Salvia Officinalis (Plant) Rel Props:Reference:
271. Outgoing r'ship FOUND_IN to/from Sanguisorba Officinalis (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Saponaria Officinalis (Plant) Rel Props:Reference:
273. Outgoing r'ship FOUND_IN to/from Sassafras Albidum (Plant) Rel Props:Reference:
274. Outgoing r'ship FOUND_IN to/from Sassafras Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
275. Outgoing r'ship FOUND_IN to/from Sassafras Randainense (Plant) Rel Props:Reference:
276. Outgoing r'ship FOUND_IN to/from Sassafras Tzumu (Plant) Rel Props:Reference:
277. Outgoing r'ship FOUND_IN to/from Scindapsus Officinalis (Plant) Rel Props:Reference:
278. Outgoing r'ship FOUND_IN to/from Sophora Angustifolia (Plant) Rel Props:Reference:
279. Outgoing r'ship FOUND_IN to/from Sterculia Villosa (Plant) Rel Props:Reference:
280. Outgoing r'ship FOUND_IN to/from Styrax Officinalis (Plant) Rel Props:Reference:
281. Outgoing r'ship FOUND_IN to/from Suregada Angustifolia (Plant) Rel Props:Reference:
282. Outgoing r'ship FOUND_IN to/from Suregada Lanceolata (Plant) Rel Props:Reference:
283. Outgoing r'ship FOUND_IN to/from Swertia Angustifolia (Plant) Rel Props:Reference:
284. Outgoing r'ship FOUND_IN to/from Tanacetum Argenteum (Plant) Rel Props:Reference:
285. Outgoing r'ship FOUND_IN to/from Tanacetum Balsamitoides (Plant) Rel Props:Reference:
286. Outgoing r'ship FOUND_IN to/from Tanacetum Cinerariifolium (Plant) Rel Props:Reference:
287. Outgoing r'ship FOUND_IN to/from Tanacetum Coccineum (Plant) Rel Props:Reference:
288. Outgoing r'ship FOUND_IN to/from Tanacetum Dolichophyllum (Plant) Rel Props:Reference:
289. Outgoing r'ship FOUND_IN to/from Tanacetum Gracile (Plant) Rel Props:Reference:
290. Outgoing r'ship FOUND_IN to/from Tanacetum Himachalensis (Plant) Rel Props:Reference:
291. Outgoing r'ship FOUND_IN to/from Tanacetum Microphyllum (Plant) Rel Props:Reference:
292. Outgoing r'ship FOUND_IN to/from Tanacetum Nanam (Plant) Rel Props:Reference:
293. Outgoing r'ship FOUND_IN to/from Tanacetum Nubigenum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
294. Outgoing r'ship FOUND_IN to/from Tanacetum Parthenifolium (Plant) Rel Props:Reference:
295. Outgoing r'ship FOUND_IN to/from Tanacetum Parthenium (Plant) Rel Props:Reference:
296. Outgoing r'ship FOUND_IN to/from Tanacetum Praeteritum (Plant) Rel Props:Reference:
297. Outgoing r'ship FOUND_IN to/from Tanacetum Santolina (Plant) Rel Props:Reference:
298. Outgoing r'ship FOUND_IN to/from Tanacetum Santolinoides (Plant) Rel Props:Reference:
299. Outgoing r'ship FOUND_IN to/from Tanacetum Sibiricum (Plant) Rel Props:Reference:
300. Outgoing r'ship FOUND_IN to/from Tanacetum Vulgare (Plant) Rel Props:Reference:
301. Outgoing r'ship FOUND_IN to/from Tasmannia Lanceolata (Plant) Rel Props:Reference:
302. Outgoing r'ship FOUND_IN to/from Tephrosia Villosa (Plant) Rel Props:Reference:
303. Outgoing r'ship FOUND_IN to/from Thermopsis Lanceolata (Plant) Rel Props:Reference:
304. Outgoing r'ship FOUND_IN to/from Tricholepis Angustifolia (Plant) Rel Props:Reference:
305. Outgoing r'ship FOUND_IN to/from Turnera Angustifolia (Plant) Rel Props:Reference:
306. Outgoing r'ship FOUND_IN to/from Typha Angustifolia (Plant) Rel Props:Reference:
307. Outgoing r'ship FOUND_IN to/from Vaccinium Ashei (Plant) Rel Props:Reference:
308. Outgoing r'ship FOUND_IN to/from Valeriana Officinalis (Plant) Rel Props:Reference:
309. Outgoing r'ship FOUND_IN to/from Verbena Officinalis (Plant) Rel Props:Reference:
310. Outgoing r'ship FOUND_IN to/from Vernonia Lilacina (Plant) Rel Props:Reference:
311. Outgoing r'ship FOUND_IN to/from Vicia Villosa (Plant) Rel Props:Reference:
312. Outgoing r'ship FOUND_IN to/from Wikstroemia Lanceolata (Plant) Rel Props:Reference:
313. Outgoing r'ship FOUND_IN to/from Zamia Angustifolia (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 313

Plant Connections 313