Euscaphic Acid Methyl Ester
PubChem CID: 14314584
Connections displayed (default: 10).
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| Compound Synonyms | Euscaphic Acid Methyl Ester, CHEMBL2089025, methyl (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 972.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 11.0 |
| Uniprot Id | n.a. |
| Iupac Name | methyl (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Prediction Hob | 0.0 |
| Xlogp | 5.3 |
| Molecular Formula | C31H50O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RQWXHGLRDYGNGZ-VFBRRWPOSA-N |
| Fcsp3 | 0.9032258064516128 |
| Logs | -5.014 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.64 |
| Compound Name | Euscaphic Acid Methyl Ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 502.366 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 502.366 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 502.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 11.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.151363200000002 |
| Inchi | InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Casimiroa Edulis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
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FOUND_INto/from Rubus Rosa (Plant) Rel Props:Reference: - 165. Outgoing r'ship
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FOUND_INto/from Senecio Miser (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Senecio Nemorensis (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Senecio Nudicaulis (Plant) Rel Props:Reference: - 216. Outgoing r'ship
FOUND_INto/from Senecio Oryzetorum (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Senecio Othonniformis (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Senecio Paludaffinis (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Senecio Paucicazyculatus (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Senecio Platyphylloides (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Senecio Platyphyllus (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Senecio Polyodon (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Senecio Praecox (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Senecio Pyramidatus (Plant) Rel Props:Reference: - 225. Outgoing r'ship
FOUND_INto/from Senecio Quinquelobus (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Senecio Renardii (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Senecio Retrorsus (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Senecio Rivularis (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Senecio Roseus (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Senecio Rosmarinifolius (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Senecio Rufinervis (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Senecio Rupestris (Plant) Rel Props:Reference: - 233. Outgoing r'ship
FOUND_INto/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Senecio Sandersonii (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Senecio Scandens (Plant) Rel Props:Reference: - 236. Outgoing r'ship
FOUND_INto/from Senecio Sinuatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 237. Outgoing r'ship
FOUND_INto/from Senecio Speciosus (Plant) Rel Props:Reference: - 238. Outgoing r'ship
FOUND_INto/from Senecio Squalidus (Plant) Rel Props:Reference: - 239. Outgoing r'ship
FOUND_INto/from Senecio Suaveolens (Plant) Rel Props:Reference: - 240. Outgoing r'ship
FOUND_INto/from Senecio Subdentatus (Plant) Rel Props:Reference: - 241. Outgoing r'ship
FOUND_INto/from Senecio Taiwanensis (Plant) Rel Props:Reference: - 242. Outgoing r'ship
FOUND_INto/from Senecio Tenuifolius (Plant) Rel Props:Reference: - 243. Outgoing r'ship
FOUND_INto/from Senecio Tibeticus (Plant) Rel Props:Reference: - 244. Outgoing r'ship
FOUND_INto/from Senecio Toluccanus (Plant) Rel Props:Reference: - 245. Outgoing r'ship
FOUND_INto/from Senecio Tricephalus (Plant) Rel Props:Reference: - 246. Outgoing r'ship
FOUND_INto/from Senecio Variabilis (Plant) Rel Props:Reference: - 247. Outgoing r'ship
FOUND_INto/from Senecio Vellereus (Plant) Rel Props:Reference: - 248. Outgoing r'ship
FOUND_INto/from Senecio Viscosus (Plant) Rel Props:Reference: - 249. Outgoing r'ship
FOUND_INto/from Senecio Vulgaris (Plant) Rel Props:Reference: - 250. Outgoing r'ship
FOUND_INto/from Senecio Zoellneri (Plant) Rel Props:Reference: - 251. Outgoing r'ship
FOUND_INto/from Simaba Multiflora (Plant) Rel Props:Reference: - 252. Outgoing r'ship
FOUND_INto/from Sinapis Nigra (Plant) Rel Props:Reference: - 253. Outgoing r'ship
FOUND_INto/from Sophora Angustifolia (Plant) Rel Props:Reference: - 254. Outgoing r'ship
FOUND_INto/from Suregada Angustifolia (Plant) Rel Props:Reference: - 255. Outgoing r'ship
FOUND_INto/from Suregada Multiflora (Plant) Rel Props:Reference: - 256. Outgoing r'ship
FOUND_INto/from Swertia Angustifolia (Plant) Rel Props:Reference: - 257. Outgoing r'ship
FOUND_INto/from Theobroma Speciosum (Plant) Rel Props:Reference: - 258. Outgoing r'ship
FOUND_INto/from Tricholepis Angustifolia (Plant) Rel Props:Reference: - 259. Outgoing r'ship
FOUND_INto/from Tropaeolum Speciosum (Plant) Rel Props:Reference: - 260. Outgoing r'ship
FOUND_INto/from Turnera Angustifolia (Plant) Rel Props:Reference: - 261. Outgoing r'ship
FOUND_INto/from Typha Angustifolia (Plant) Rel Props:Reference: - 262. Outgoing r'ship
FOUND_INto/from Uncaria Laevigata (Plant) Rel Props:Reference: - 263. Outgoing r'ship
FOUND_INto/from Viguiera Dentata (Plant) Rel Props:Reference: - 264. Outgoing r'ship
FOUND_INto/from Yucca Filamentosa (Plant) Rel Props:Reference: - 265. Outgoing r'ship
FOUND_INto/from Zamia Angustifolia (Plant) Rel Props:Reference: - 266. Outgoing r'ship
FOUND_INto/from Zataria Multiflora (Plant) Rel Props:Reference: