2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
PubChem CID: 14986
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| Compound Synonyms | Tocopherols, 7616-22-0, 73980-80-0, Rac-gamma-tocopherol, (+/-)-gamma-Tocopherol, 3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol, 1406-66-2, E-MIX 80, 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol, ECY0XG64DO, Methyltocols, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-, 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol, ( inverted exclamation markA)-, A-Tocopherol, CCRIS 3610, 6-Chromanol, 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-, EINECS 231-523-4, (Rac)-gamma-Tocopherol, UNII-ECY0XG64DO, DTXSID5044075, 7,8-Dimethyltocolo-xylotocopherol, CCRIS 4506, .gamma.-Tokoferol, ()--Tocopherol, Tocopherol [JAN], DL-gamma-tocopherol, D-.gamma.-Tocopherol, gamma-Tocopherol, DL-, (+/-)-?-Tocopherol, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl- 2-(4,8,12-trimethyltridecyl)-, SCHEMBL39640, DL-.GAMMA.-TOCOPHEROL, UNII-R0ZB2556P8, CHEMBL420898, HY-N7148A, .GAMMA.-TOCOPHEROL, DL-, R0ZB2556P8, (+/-)-7,8-DIMETHYLTOCOL, (ALL-RAC)-.GAMMA.-TOCOPHEROL, .GAMMA.-TOCOPHEROL DL-FORM [MI], DA-48821, FT168528, J34.135E, DB-323925, J816.831H, CS-0113315, NS00006800, EC 604-195-9, Q27277111, 2,7,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol #, 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | Occurs in many nut and other vegetable oils such as soya and sunflower oil. It is used as antioxidant food additive. Member of Vitamin E group. Added to fats and oils to prevent rancidity. The naturally occurring tocopherol is a single steroisomer, synthetic forms are a mixture of all eight possible isomers [DFC] gamma-Tocopherol is one of the chemical compounds that is considered vitamin E. As a food additive, it has E number E308. [Wikipedia]. gamma-Tocopherol is found in many foods, some of which are common pea, shiitake, feijoa, and other bread. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 10.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Quinone and hydroquinone lipids |
| Molecular Formula | C28H48O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QUEDXNHFTDJVIY-UHFFFAOYSA-N |
| Fcsp3 | 0.7857142857142857 |
| Logs | -6.926 |
| Rotatable Bond Count | 12.0 |
| State | Solid |
| Logd | 6.556 |
| Synonyms | 2,7,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol, 3,4-dihydro-2,7,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, 3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol, 9CI, 6-Chromanol, 2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-, 7,8-Dimethyltocol, 7,8-Dimethyltocolo-xylotocopherol, D-gamma-tocopherol, DL-a-Tocopherol, DL-alpha-Tocopherol, DL-α-tocopherol, E308, Gama-tocopherol, Gamma-tocopherol, Methyltocols, O-xylotocopherol, Tocopherols, Vitamin e gamma |
| Substituent Name | Tocopherol, Diterpenoid, 1-benzopyran, Benzopyran, Chromane, Nitrotoluene, O-cresol, M-cresol, Alkyl aryl ether, Benzenoid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 416.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 416.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.287378000000002 |
| Inchi | InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3 |
| Smiles | CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Juglans Cinerea (Plant) Rel Props:Reference: - 180. Outgoing r'ship
FOUND_INto/from Juglans Mandshurica (Plant) Rel Props:Reference: - 181. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:fooddb_chem_all - 182. Outgoing r'ship
FOUND_INto/from Juglans Regia (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 183. Outgoing r'ship
FOUND_INto/from Juglans Sinensis (Plant) Rel Props:Reference: - 184. Outgoing r'ship
FOUND_INto/from Lablab Semen (Plant) Rel Props:Reference: - 185. Outgoing r'ship
FOUND_INto/from Lamium Album (Plant) Rel Props:Reference: - 186. Outgoing r'ship
FOUND_INto/from Lathyrus Sativus (Plant) Rel Props:Reference: - 187. Outgoing r'ship
FOUND_INto/from Licaria Armeniaca (Plant) Rel Props:Reference: - 188. Outgoing r'ship
FOUND_INto/from Limeum Indicum (Plant) Rel Props:Reference: - 189. Outgoing r'ship
FOUND_INto/from Limnanthemum Indicum (Plant) Rel Props:Reference: - 190. Outgoing r'ship
FOUND_INto/from Linum Album (Plant) Rel Props:Reference: - 191. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:fooddb_chem_all - 192. Outgoing r'ship
FOUND_INto/from Litchi Chinensis (Plant) Rel Props:Source_db:fooddb_chem_all - 193. Outgoing r'ship
FOUND_INto/from Melanthium Indicum (Plant) Rel Props:Reference: - 194. Outgoing r'ship
FOUND_INto/from Melilotus Indicum (Plant) Rel Props:Reference: - 195. Outgoing r'ship
FOUND_INto/from Moringa Oleifera (Plant) Rel Props:Source_db:fooddb_chem_all - 196. Outgoing r'ship
FOUND_INto/from Nasturtium Indicum (Plant) Rel Props:Reference: - 197. Outgoing r'ship
FOUND_INto/from Nerium Indicum (Plant) Rel Props:Reference: - 198. Outgoing r'ship
FOUND_INto/from Nymphoides Indicum (Plant) Rel Props:Reference: - 199. Outgoing r'ship
FOUND_INto/from Ocimum Album (Plant) Rel Props:Reference: - 200. Outgoing r'ship
FOUND_INto/from Oenothera Biennis (Plant) Rel Props:Source_db:fooddb_chem_all - 201. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all - 202. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 203. Outgoing r'ship
FOUND_INto/from Oroxylum Indicum (Plant) Rel Props:Reference: - 204. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 205. Outgoing r'ship
FOUND_INto/from Papaver Album (Plant) Rel Props:Reference: - 206. Outgoing r'ship
FOUND_INto/from Pentanema Indicum (Plant) Rel Props:Reference: - 207. Outgoing r'ship
FOUND_INto/from Persicaria Sibirica (Plant) Rel Props:Reference: - 208. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all - 209. Outgoing r'ship
FOUND_INto/from Phyllocephalum Indicum (Plant) Rel Props:Reference: - 210. Outgoing r'ship
FOUND_INto/from Pinus Sibirica (Plant) Rel Props:Reference: - 211. Outgoing r'ship
FOUND_INto/from Poeciloneuron Indicum (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Reference: - 213. Outgoing r'ship
FOUND_INto/from Pouzolzia Hirta (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Prunus Africana (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 216. Outgoing r'ship
FOUND_INto/from Prunus Avium (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Prunus Cerasoides (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Prunus Cerasus (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Prunus Ceylanica (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Prunus Cornuta (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Prunus Davidiana (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Prunus Domestica (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Prunus Dulcis (Plant) Rel Props:Source_db:fooddb_chem_all - 224. Outgoing r'ship
FOUND_INto/from Prunus Humilis (Plant) Rel Props:Reference: - 225. Outgoing r'ship
FOUND_INto/from Prunus Jacquemontii (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Prunus Japonica (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Prunus Laurocerasus (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Prunus Lusitanica (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Prunus Mahaleb (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Prunus Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 231. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Reference: - 233. Outgoing r'ship
FOUND_INto/from Prunus Prostrata (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Prunus Pseudocerasus (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Prunus Puddum (Plant) Rel Props:Reference: - 236. Outgoing r'ship
FOUND_INto/from Prunus Puddun (Plant) Rel Props:Reference: - 237. Outgoing r'ship
FOUND_INto/from Prunus Salicina (Plant) Rel Props:Reference: - 238. Outgoing r'ship
FOUND_INto/from Prunus Serotina (Plant) Rel Props:Reference: - 239. Outgoing r'ship
FOUND_INto/from Prunus Serrulata (Plant) Rel Props:Reference: - 240. Outgoing r'ship
FOUND_INto/from Prunus Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 241. Outgoing r'ship
FOUND_INto/from Prunus Speciosa (Plant) Rel Props:Reference: - 242. Outgoing r'ship
FOUND_INto/from Prunus Tomentosa (Plant) Rel Props:Reference: - 243. Outgoing r'ship
FOUND_INto/from Prunus Venosa (Plant) Rel Props:Reference: - 244. Outgoing r'ship
FOUND_INto/from Prunus Verecunda (Plant) Rel Props:Reference: - 245. Outgoing r'ship
FOUND_INto/from Prunus Virginiana (Plant) Rel Props:Reference: - 246. Outgoing r'ship
FOUND_INto/from Prunus Yedoensis (Plant) Rel Props:Reference: - 247. Outgoing r'ship
FOUND_INto/from Prunus Zippeliana (Plant) Rel Props:Reference: - 248. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 249. Outgoing r'ship
FOUND_INto/from Raphanus Caudatus (Plant) Rel Props:Reference: - 250. Outgoing r'ship
FOUND_INto/from Raphanus Raphanistrum (Plant) Rel Props:Reference: - 251. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 252. Outgoing r'ship
FOUND_INto/from Rhynchosia Hirta (Plant) Rel Props:Reference: - 253. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 254. Outgoing r'ship
FOUND_INto/from Roystonea Regia (Plant) Rel Props:Reference: - 255. Outgoing r'ship
FOUND_INto/from Rudbeckia Hirta (Plant) Rel Props:Reference: - 256. Outgoing r'ship
FOUND_INto/from Sandoricum Indicum (Plant) Rel Props:Reference: - 257. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Reference: - 258. Outgoing r'ship
FOUND_INto/from Sapium Indicum (Plant) Rel Props:Reference: - 259. Outgoing r'ship
FOUND_INto/from Sesamum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 260. Outgoing r'ship
FOUND_INto/from Sesamum Laciniatum (Plant) Rel Props:Reference: - 261. Outgoing r'ship
FOUND_INto/from Sesamum Prostratum (Plant) Rel Props:Reference: - 262. Outgoing r'ship
FOUND_INto/from Seseli Indicum (Plant) Rel Props:Reference: - 263. Outgoing r'ship
FOUND_INto/from Solanum Indicum (Plant) Rel Props:Reference: - 264. Outgoing r'ship
FOUND_INto/from Tiaridium Indicum (Plant) Rel Props:Reference: - 265. Outgoing r'ship
FOUND_INto/from Trichilia Hirta (Plant) Rel Props:Reference: - 266. Outgoing r'ship
FOUND_INto/from Trichodesma Indicum (Plant) Rel Props:Reference: - 267. Outgoing r'ship
FOUND_INto/from Tricodesma Indicum (Plant) Rel Props:Reference: - 268. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all - 269. Outgoing r'ship
FOUND_INto/from Vaccinium Macrocarpon (Plant) Rel Props:Source_db:fooddb_chem_all - 270. Outgoing r'ship
FOUND_INto/from Veratrum Album (Plant) Rel Props:Reference: - 271. Outgoing r'ship
FOUND_INto/from Victoria Regia (Plant) Rel Props:Reference: - 272. Outgoing r'ship
FOUND_INto/from Viola Mandshurica (Plant) Rel Props:Reference: - 273. Outgoing r'ship
FOUND_INto/from Viscum Album (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 274. Outgoing r'ship
FOUND_INto/from Viscum Angulatum (Plant) Rel Props:Reference: - 275. Outgoing r'ship
FOUND_INto/from Viscum Articulatum (Plant) Rel Props:Reference: - 276. Outgoing r'ship
FOUND_INto/from Viscum Coloratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 277. Outgoing r'ship
FOUND_INto/from Viscum Cruciatum (Plant) Rel Props:Reference: - 278. Outgoing r'ship
FOUND_INto/from Viscum Monoicum (Plant) Rel Props:Reference: - 279. Outgoing r'ship
FOUND_INto/from Viscum Multinerve (Plant) Rel Props:Reference: - 280. Outgoing r'ship
FOUND_INto/from Viscum Nepalense (Plant) Rel Props:Reference: - 281. Outgoing r'ship
FOUND_INto/from Viscum Orientale (Plant) Rel Props:Reference: - 282. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all - 283. Outgoing r'ship
FOUND_INto/from Xanthium Indicum (Plant) Rel Props:Reference: - 284. Outgoing r'ship
FOUND_INto/from Xylocarpus Granatum (Plant) Rel Props:Reference: - 285. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all