Glutinol Acetate
PubChem CID: 1781002
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| Compound Synonyms | Glutinol Acetate, 6426-44-4, Glutinyl acetate, CHEMBL487567, [(3S,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl] acetate, glutin-5-en-3-beta-O-acetate, DTXSID201137999, HY-N3954, BDBM50275350, AKOS032949056, FS-8784, DA-53612, CS-0024510, (3S,6aS,6bR,8aR,12aR,12bS,14aR,14bS)-4,4,6b,8a,11,11,12b,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl acetate, 25,26-Dinorolean-5-en-3-ol, 9,13-dimethyl-, 3-acetate, (3I(2),8I+/-,9I(2),10I+/-,13I+/-,14I(2))- |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 897.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Uniprot Id | P29477 |
| Iupac Name | [(3S,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14a-octamethyl-1,2,3,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicen-3-yl] acetate |
| Prediction Hob | 0.0 |
| Xlogp | 9.7 |
| Molecular Formula | C32H52O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQQNBMVDVWGBMD-JZWVFCOJSA-N |
| Fcsp3 | 0.90625 |
| Logs | -7.238 |
| Rotatable Bond Count | 2.0 |
| Logd | 5.536 |
| Compound Name | Glutinol Acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 468.397 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 468.397 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 468.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.744249200000002 |
| Inchi | InChI=1S/C32H52O2/c1-21(33)34-26-13-11-23-22(28(26,4)5)10-12-24-30(23,7)17-19-32(9)25-20-27(2,3)14-15-29(25,6)16-18-31(24,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24+,25-,26+,29-,30+,31-,32+/m1/s1 |
| Smiles | CC(=O)O[C@H]1CC[C@@H]2C(=CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C1(C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Rorippa Indica (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Rosa Indica (Plant) Rel Props:Reference: - 213. Outgoing r'ship
FOUND_INto/from Rotala Indica (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Rothia Indica (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Rubus Fruticosus (Plant) Rel Props:Reference: - 216. Outgoing r'ship
FOUND_INto/from Sacciolepis Indica (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Samadera Indica (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Saraca Indica (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Scilla Indica (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Scleria Terrestris (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Scutellaria Indica (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Scutia Indica (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Shirakiopsis Indica (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Silene Indica (Plant) Rel Props:Reference: - 225. Outgoing r'ship
FOUND_INto/from Sinocrassula Indica (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Solanum Americanum (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Sophora Tonkinensis (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Stachytarpheta Indica (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Styrax Tonkinensis (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Tamarix Indica (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Tetracera Indica (Plant) Rel Props:Reference: - 233. Outgoing r'ship
FOUND_INto/from Thesium Chinense (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Tournefortia Argentea (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Tribulus Terrestris (Plant) Rel Props:Reference: - 236. Outgoing r'ship
FOUND_INto/from Trilisa Odoratissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 237. Outgoing r'ship
FOUND_INto/from Tylophora Indica (Plant) Rel Props:Reference: - 238. Outgoing r'ship
FOUND_INto/from Vateria Indica (Plant) Rel Props:Reference: - 239. Outgoing r'ship
FOUND_INto/from Verbascum Chinense (Plant) Rel Props:Reference: - 240. Outgoing r'ship
FOUND_INto/from Vernonia Chinense (Plant) Rel Props:Reference: - 241. Outgoing r'ship
FOUND_INto/from Vicoa Indica (Plant) Rel Props:Reference: - 242. Outgoing r'ship
FOUND_INto/from Vitis Indica (Plant) Rel Props:Reference: - 243. Outgoing r'ship
FOUND_INto/from Waltheria Indica (Plant) Rel Props:Reference: - 244. Outgoing r'ship
FOUND_INto/from Wikstroemia Indica (Plant) Rel Props:Reference: - 245. Outgoing r'ship
FOUND_INto/from Xyris Indica (Plant) Rel Props:Reference: - 246. Outgoing r'ship
FOUND_INto/from Zanonia Indica (Plant) Rel Props:Reference: - 247. Outgoing r'ship
FOUND_INto/from Zanthoxylum Acanthopodium (Plant) Rel Props:Reference: - 248. Outgoing r'ship
FOUND_INto/from Zanthoxylum Acutifolium (Plant) Rel Props:Reference: - 249. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ailanthoides (Plant) Rel Props:Reference: - 250. Outgoing r'ship
FOUND_INto/from Zanthoxylum Americanum (Plant) Rel Props:Source_db:npass_chem_all - 251. Outgoing r'ship
FOUND_INto/from Zanthoxylum Armatum (Plant) Rel Props:Reference: - 252. Outgoing r'ship
FOUND_INto/from Zanthoxylum Arnottianum (Plant) Rel Props:Reference: - 253. Outgoing r'ship
FOUND_INto/from Zanthoxylum Avicennae (Plant) Rel Props:Reference: - 254. Outgoing r'ship
FOUND_INto/from Zanthoxylum Belizense (Plant) Rel Props:Reference: - 255. Outgoing r'ship
FOUND_INto/from Zanthoxylum Brachyacanthum (Plant) Rel Props:Reference: - 256. Outgoing r'ship
FOUND_INto/from Zanthoxylum Budrunga (Plant) Rel Props:Reference: - 257. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Reference: - 258. Outgoing r'ship
FOUND_INto/from Zanthoxylum Chiloperone (Plant) Rel Props:Reference: - 259. Outgoing r'ship
FOUND_INto/from Zanthoxylum Chiriquinum (Plant) Rel Props:Reference: - 260. Outgoing r'ship
FOUND_INto/from Zanthoxylum Cuspidatum (Plant) Rel Props:Reference: - 261. Outgoing r'ship
FOUND_INto/from Zanthoxylum Decaryi (Plant) Rel Props:Reference: - 262. Outgoing r'ship
FOUND_INto/from Zanthoxylum Dipetalum (Plant) Rel Props:Reference: - 263. Outgoing r'ship
FOUND_INto/from Zanthoxylum Dissitum (Plant) Rel Props:Reference: - 264. Outgoing r'ship
FOUND_INto/from Zanthoxylum Echinocarpum (Plant) Rel Props:Reference: - 265. Outgoing r'ship
FOUND_INto/from Zanthoxylum Elephantiasis (Plant) Rel Props:Reference: - 266. Outgoing r'ship
FOUND_INto/from Zanthoxylum Fagara (Plant) Rel Props:Reference: - 267. Outgoing r'ship
FOUND_INto/from Zanthoxylum Flavum (Plant) Rel Props:Reference: - 268. Outgoing r'ship
FOUND_INto/from Zanthoxylum Fraxineum (Plant) Rel Props:Reference: - 269. Outgoing r'ship
FOUND_INto/from Zanthoxylum Hamiltonianum (Plant) Rel Props:Reference: - 270. Outgoing r'ship
FOUND_INto/from Zanthoxylum Hostile (Plant) Rel Props:Reference: - 271. Outgoing r'ship
FOUND_INto/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Reference: - 272. Outgoing r'ship
FOUND_INto/from Zanthoxylum Limonella (Plant) Rel Props:Reference: - 273. Outgoing r'ship
FOUND_INto/from Zanthoxylum Monophyllum (Plant) Rel Props:Reference: - 274. Outgoing r'ship
FOUND_INto/from Zanthoxylum Myriacanthum (Plant) Rel Props:Reference: - 275. Outgoing r'ship
FOUND_INto/from Zanthoxylum Nitidum (Plant) Rel Props:Reference: - 276. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ocumarense (Plant) Rel Props:Reference: - 277. Outgoing r'ship
FOUND_INto/from Zanthoxylum Ovalifolium (Plant) Rel Props:Reference: - 278. Outgoing r'ship
FOUND_INto/from Zanthoxylum Oxphyllum (Plant) Rel Props:Reference: - 279. Outgoing r'ship
FOUND_INto/from Zanthoxylum Oxyphyllum (Plant) Rel Props:Reference: - 280. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Reference: - 281. Outgoing r'ship
FOUND_INto/from Zanthoxylum Planispinum (Plant) Rel Props:Reference: - 282. Outgoing r'ship
FOUND_INto/from Zanthoxylum Podocarpum (Plant) Rel Props:Reference: - 283. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference: - 284. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rubescens (Plant) Rel Props:Reference: - 285. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Reference: - 286. Outgoing r'ship
FOUND_INto/from Zanthoxylum Simulans (Plant) Rel Props:Reference: - 287. Outgoing r'ship
FOUND_INto/from Zanthoxylum Spinosum (Plant) Rel Props:Reference: - 288. Outgoing r'ship
FOUND_INto/from Zanthoxylum Syncarpum (Plant) Rel Props:Reference: - 289. Outgoing r'ship
FOUND_INto/from Zanthoxylum Tetraspermum (Plant) Rel Props:Reference: - 290. Outgoing r'ship
FOUND_INto/from Zanthoxylum Triphyllum (Plant) Rel Props:Reference: - 291. Outgoing r'ship
FOUND_INto/from Zanthoxylum Tsihanimposa (Plant) Rel Props:Reference: - 292. Outgoing r'ship
FOUND_INto/from Zanthoxylum Veneficium (Plant) Rel Props:Reference: