Quercetin 3,7-diglucoside
PubChem CID: 10121947
Connections displayed (default: 10).
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| Compound Synonyms | Quercetin 3,7-diglucoside, 6892-74-6, 3,7-Diglucosylquercetin, UNII-S2L05XBF3A, S2L05XBF3A, Quercetin-3,7-O-beta-diglucopyranoside, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-, quercetin 3,7-O-diglucoside, CHEBI:131497, DTXSID90218990, Flavone, 3,3',4',5,7-pentahydroxy-, 3,7-di-beta-D-glucopyranoside, quercetin 3,7-di-O-beta-D-glucoside, 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl beta-D-glucopyranoside, Qurcetin-3,7-diglucoside, CHEMBL591113, DTXCID40141481, HY-N11823, AKOS040734507, FS-8479, CS-0865436, QUERCETIN-3,7-O-.BETA.-DIGLUCOPYRANOSIDE, Q27288498, FLAVONE, 3,3',4',5,7-PENTAHYDROXY-, 3,7-DI-.BETA.-D-GLUCOPYRANOSIDE, 4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-3,7-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY- |
|---|---|
| Topological Polar Surface Area | 286.0 |
| Hydrogen Bond Donor Count | 11.0 |
| Heavy Atom Count | 44.0 |
| Description | Quercetin 3,7-diglucoside, also known as quercetin-3,7-O-beta-diglucopyranoside or 3,7-diglucosylquercetin, is a member of the class of compounds known as flavonoid-7-o-glycosides. Flavonoid-7-o-glycosides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Quercetin 3,7-diglucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Quercetin 3,7-diglucoside can be found in a number of food items such as fenugreek, grape, safflower, and hedge mustard, which makes quercetin 3,7-diglucoside a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1040.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Uniprot Id | O42713 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one |
| Prediction Hob | 0.0 |
| Class | Flavonoids |
| Xlogp | -1.4 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavonoid glycosides |
| Molecular Formula | C27H30O17 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BNSCASRSSGJHQH-DEFKTLOSSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -3.533 |
| Rotatable Bond Count | 7.0 |
| Logd | -0.503 |
| Synonyms | Quercetin 3-glucoside 7-glucoside, Quercetin 3-O-glucoside-7-O-glucoside, Quercetin 3,7-di-O-beta-D-glucoside, Quercetin 3,7-diglucoside, 3,7-Diglucosylquercetin, Quercetin 3,7-O-diglucoside, Quercetin-3,7-O-beta-diglucopyranoside, Quercetin-3,7-O-b-diglucopyranoside, Quercetin-3,7-O-β-diglucopyranoside, Quercetin 3,7-di-O-b-D-glucoside, Quercetin 3,7-di-O-β-D-glucoside |
| Compound Name | Quercetin 3,7-diglucoside |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 626.148 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 626.148 |
| Hydrogen Bond Acceptor Count | 17.0 |
| Molecular Weight | 626.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.258914909090912 |
| Inchi | InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-9-4-12(32)16-13(5-9)41-24(8-1-2-10(30)11(31)3-8)25(19(16)35)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m1/s1 |
| Smiles | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Flavonoid-7-O-glycosides |
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FOUND_INto/from Astragalus Spinosus (Plant) Rel Props:Reference: - 189. Outgoing r'ship
FOUND_INto/from Astragalus Strictus (Plant) Rel Props:Reference: - 190. Outgoing r'ship
FOUND_INto/from Astragalus Strobiliferus (Plant) Rel Props:Reference: - 191. Outgoing r'ship
FOUND_INto/from Astragalus Tragacantha (Plant) Rel Props:Reference: - 192. Outgoing r'ship
FOUND_INto/from Astragalus Tribulifolius (Plant) Rel Props:Reference: - 193. Outgoing r'ship
FOUND_INto/from Astragalus Trojanus (Plant) Rel Props:Reference: - 194. Outgoing r'ship
FOUND_INto/from Astragalus Wiedemannianus (Plant) Rel Props:Reference: - 195. Outgoing r'ship
FOUND_INto/from Astragalus Zahlbruckneri (Plant) Rel Props:Reference: - 196. Outgoing r'ship
FOUND_INto/from Athrixia Elata (Plant) Rel Props:Reference: - 197. Outgoing r'ship
FOUND_INto/from Banisteriopsis Muricata (Plant) Rel Props:Reference: - 198. Outgoing r'ship
FOUND_INto/from Bassia Butyracea (Plant) Rel Props:Reference: - 199. Outgoing r'ship
FOUND_INto/from Bassia Indica (Plant) Rel Props:Reference: - 200. Outgoing r'ship
FOUND_INto/from Bassia Latifolia (Plant) Rel Props:Reference: - 201. Outgoing r'ship
FOUND_INto/from Bassia Longifolia (Plant) Rel Props:Reference: - 202. Outgoing r'ship
FOUND_INto/from Bassia Muricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 203. Outgoing r'ship
FOUND_INto/from Bassia Scoparia (Plant) Rel Props:Reference: - 204. Outgoing r'ship
FOUND_INto/from Bauhinia Acuminata (Plant) Rel Props:Reference: - 205. Outgoing r'ship
FOUND_INto/from Bauhinia Championii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 206. Outgoing r'ship
FOUND_INto/from Bauhinia Divaricata (Plant) Rel Props:Reference: - 207. Outgoing r'ship
FOUND_INto/from Bauhinia Ichii (Plant) Rel Props:Reference: - 208. Outgoing r'ship
FOUND_INto/from Bauhinia Malabarica (Plant) Rel Props:Reference: - 209. Outgoing r'ship
FOUND_INto/from Bauhinia Monandra (Plant) Rel Props:Reference: - 210. Outgoing r'ship
FOUND_INto/from Bauhinia Phoenicea (Plant) Rel Props:Reference: - 211. Outgoing r'ship
FOUND_INto/from Bauhinia Purpurea (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Bauhinia Racemosa (Plant) Rel Props:Reference: - 213. Outgoing r'ship
FOUND_INto/from Bauhinia Retusa (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Bauhinia Roxburghiana (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Bauhinia Rufescens (Plant) Rel Props:Reference: - 216. Outgoing r'ship
FOUND_INto/from Bauhinia Scandens (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Bauhinia Semla (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Bauhinia Tomentosa (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Bauhinia Vahlii (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Bauhinia Variegata (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Brachystelma Ciliatum (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Buxus Balearica (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Buxus Bodinieri (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Buxus Hildebrandtii (Plant) Rel Props:Reference: - 225. Outgoing r'ship
FOUND_INto/from Buxus Malaiana (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Buxus Microphylla (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Buxus Natalensis (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Buxus Papillosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 229. Outgoing r'ship
FOUND_INto/from Buxus Rolfei (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Buxus Sempervirens (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Buxus Wallichiana (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:fooddb_chem_all - 233. Outgoing r'ship
FOUND_INto/from Cassine Papillosa (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Chenopodium Championii (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Delonix Elata (Plant) Rel Props:Source_db:npass_chem_all - 236. Outgoing r'ship
FOUND_INto/from Delonix Regia (Plant) Rel Props:Reference: - 237. Outgoing r'ship
FOUND_INto/from Digera Muricata (Plant) Rel Props:Reference: - 238. Outgoing r'ship
FOUND_INto/from Dryopteris Championii (Plant) Rel Props:Reference: - 239. Outgoing r'ship
FOUND_INto/from Gastrodia Elata (Plant) Rel Props:Reference: - 240. Outgoing r'ship
FOUND_INto/from Ipomoea Muricata (Plant) Rel Props:Reference: - 241. Outgoing r'ship
FOUND_INto/from Iris Sibirica (Plant) Rel Props:Reference: - 242. Outgoing r'ship
FOUND_INto/from Lycopersicon Lycopersicum (Plant) Rel Props:Reference: - 243. Outgoing r'ship
FOUND_INto/from Lycopersicum Esculentum (Plant) Rel Props:Reference: - 244. Outgoing r'ship
FOUND_INto/from Microstegium Ciliatum (Plant) Rel Props:Reference: - 245. Outgoing r'ship
FOUND_INto/from Neoboutonia Glabrescens (Plant) Rel Props:Reference: - 246. Outgoing r'ship
FOUND_INto/from Nepeta Leucophylla (Plant) Rel Props:Reference: - 247. Outgoing r'ship
FOUND_INto/from Oxytropis Muricata (Plant) Rel Props:Reference: - 248. Outgoing r'ship
FOUND_INto/from Persicaria Sibirica (Plant) Rel Props:Reference: - 249. Outgoing r'ship
FOUND_INto/from Pertya Glabrescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 250. Outgoing r'ship
FOUND_INto/from Pinus Sibirica (Plant) Rel Props:Reference: - 251. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Reference: - 252. Outgoing r'ship
FOUND_INto/from Prunus Sibirica (Plant) Rel Props:Reference: - 253. Outgoing r'ship
FOUND_INto/from Sigesbeckia Glabrescens (Plant) Rel Props:Reference: - 254. Outgoing r'ship
FOUND_INto/from Solanum Acaule (Plant) Rel Props:Reference: - 255. Outgoing r'ship
FOUND_INto/from Solanum Aculeatissimum (Plant) Rel Props:Reference: - 256. Outgoing r'ship
FOUND_INto/from Solanum Aculeatum (Plant) Rel Props:Reference: - 257. Outgoing r'ship
FOUND_INto/from Solanum Aethiopicum (Plant) Rel Props:Reference: - 258. Outgoing r'ship
FOUND_INto/from Solanum Americanum (Plant) Rel Props:Reference: - 259. Outgoing r'ship
FOUND_INto/from Solanum Andigena (Plant) Rel Props:Reference: - 260. Outgoing r'ship
FOUND_INto/from Solanum Anguivi (Plant) Rel Props:Reference: - 261. Outgoing r'ship
FOUND_INto/from Solanum Arundo (Plant) Rel Props:Reference: - 262. Outgoing r'ship
FOUND_INto/from Solanum Asperolanatum (Plant) Rel Props:Reference: - 263. Outgoing r'ship
FOUND_INto/from Solanum Aviculare (Plant) Rel Props:Reference: - 264. Outgoing r'ship
FOUND_INto/from Solanum Bahamense (Plant) Rel Props:Reference: - 265. Outgoing r'ship
FOUND_INto/from Solanum Berthaultii (Plant) Rel Props:Reference: - 266. Outgoing r'ship
FOUND_INto/from Solanum Boerhaavii (Plant) Rel Props:Reference: - 267. Outgoing r'ship
FOUND_INto/from Solanum Capsicastrum (Plant) Rel Props:Reference: - 268. Outgoing r'ship
FOUND_INto/from Solanum Capsicoides (Plant) Rel Props:Reference: - 269. Outgoing r'ship
FOUND_INto/from Solanum Chacoense (Plant) Rel Props:Reference: - 270. Outgoing r'ship
FOUND_INto/from Solanum Chilense (Plant) Rel Props:Reference: - 271. Outgoing r'ship
FOUND_INto/from Solanum Ciliatum (Plant) Rel Props:Reference: - 272. Outgoing r'ship
FOUND_INto/from Solanum Coccineum (Plant) Rel Props:Reference: - 273. Outgoing r'ship
FOUND_INto/from Solanum Crinitum (Plant) Rel Props:Reference: - 274. Outgoing r'ship
FOUND_INto/from Solanum Demissum (Plant) Rel Props:Reference: - 275. Outgoing r'ship
FOUND_INto/from Solanum Diflorum (Plant) Rel Props:Reference: - 276. Outgoing r'ship
FOUND_INto/from Solanum Dubium (Plant) Rel Props:Reference: - 277. Outgoing r'ship
FOUND_INto/from Solanum Dulcamara (Plant) Rel Props:Reference: - 278. Outgoing r'ship
FOUND_INto/from Solanum Elaeagnifolium (Plant) Rel Props:Reference: - 279. Outgoing r'ship
FOUND_INto/from Solanum Erianthum (Plant) Rel Props:Reference: - 280. Outgoing r'ship
FOUND_INto/from Solanum Euacanthum (Plant) Rel Props:Reference: - 281. Outgoing r'ship
FOUND_INto/from Solanum Ferox (Plant) Rel Props:Reference: - 282. Outgoing r'ship
FOUND_INto/from Solanum Forskalii (Plant) Rel Props:Reference: - 283. Outgoing r'ship
FOUND_INto/from Solanum Giganteum (Plant) Rel Props:Reference: - 284. Outgoing r'ship
FOUND_INto/from Solanum Incanum (Plant) Rel Props:Reference: - 285. Outgoing r'ship
FOUND_INto/from Solanum Indicum (Plant) Rel Props:Reference: - 286. Outgoing r'ship
FOUND_INto/from Solanum Jacquini (Plant) Rel Props:Reference: - 287. Outgoing r'ship
FOUND_INto/from Solanum Jamaicense (Plant) Rel Props:Reference: - 288. Outgoing r'ship
FOUND_INto/from Solanum Jasminoides (Plant) Rel Props:Reference: - 289. Outgoing r'ship
FOUND_INto/from Solanum Khasianum (Plant) Rel Props:Reference: - 290. Outgoing r'ship
FOUND_INto/from Solanum Kurzii (Plant) Rel Props:Reference: - 291. Outgoing r'ship
FOUND_INto/from Solanum Laciniatum (Plant) Rel Props:Reference: - 292. Outgoing r'ship
FOUND_INto/from Solanum Lanceolatum (Plant) Rel Props:Reference: - 293. Outgoing r'ship
FOUND_INto/from Solanum Lasiocarpum (Plant) Rel Props:Reference: - 294. Outgoing r'ship
FOUND_INto/from Solanum Laxum (Plant) Rel Props:Reference: - 295. Outgoing r'ship
FOUND_INto/from Solanum Lycoicum (Plant) Rel Props:Reference: - 296. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:npass_chem_all - 297. Outgoing r'ship
FOUND_INto/from Solanum Mauritianum (Plant) Rel Props:Reference: - 298. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Reference: - 299. Outgoing r'ship
FOUND_INto/from Solanum Myriacanthum (Plant) Rel Props:Reference: - 300. Outgoing r'ship
FOUND_INto/from Solanum Nigrum (Plant) Rel Props:Reference: - 301. Outgoing r'ship
FOUND_INto/from Solanum Olgae (Plant) Rel Props:Reference: - 302. Outgoing r'ship
FOUND_INto/from Solanum Platanifolium (Plant) Rel Props:Reference: - 303. Outgoing r'ship
FOUND_INto/from Solanum Pseudocapsicum (Plant) Rel Props:Reference: - 304. Outgoing r'ship
FOUND_INto/from Solanum Pseudopersicum (Plant) Rel Props:Reference: - 305. Outgoing r'ship
FOUND_INto/from Solanum Pseudoquina (Plant) Rel Props:Reference: - 306. Outgoing r'ship
FOUND_INto/from Solanum Pubescens (Plant) Rel Props:Reference: - 307. Outgoing r'ship
FOUND_INto/from Solanum Racemigerum (Plant) Rel Props:Reference: - 308. Outgoing r'ship
FOUND_INto/from Solanum Sarmentosum (Plant) Rel Props:Reference: - 309. Outgoing r'ship
FOUND_INto/from Solanum Sarrachoides (Plant) Rel Props:Reference: - 310. Outgoing r'ship
FOUND_INto/from Solanum Seaforthianum (Plant) Rel Props:Reference: - 311. Outgoing r'ship
FOUND_INto/from Solanum Sisymbriifolium (Plant) Rel Props:Reference: - 312. Outgoing r'ship
FOUND_INto/from Solanum Sodomeum (Plant) Rel Props:Reference: - 313. Outgoing r'ship
FOUND_INto/from Solanum Spirale (Plant) Rel Props:Reference: - 314. Outgoing r'ship
FOUND_INto/from Solanum Stramoniifolium (Plant) Rel Props:Reference: - 315. Outgoing r'ship
FOUND_INto/from Solanum Sublobatum (Plant) Rel Props:Reference: - 316. Outgoing r'ship
FOUND_INto/from Solanum Surattense (Plant) Rel Props:Reference: - 317. Outgoing r'ship
FOUND_INto/from Solanum Torvum (Plant) Rel Props:Reference: - 318. Outgoing r'ship
FOUND_INto/from Solanum Toxicarium (Plant) Rel Props:Reference: - 319. Outgoing r'ship
FOUND_INto/from Solanum Toxicarum (Plant) Rel Props:Reference: - 320. Outgoing r'ship
FOUND_INto/from Solanum Transcaucasicum (Plant) Rel Props:Reference: - 321. Outgoing r'ship
FOUND_INto/from Solanum Trilobatum (Plant) Rel Props:Reference: - 322. Outgoing r'ship
FOUND_INto/from Solanum Tripartitum (Plant) Rel Props:Reference: - 323. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Reference: - 324. Outgoing r'ship
FOUND_INto/from Solanum Verbascifolium (Plant) Rel Props:Reference: - 325. Outgoing r'ship
FOUND_INto/from Solanum Viarum (Plant) Rel Props:Reference: - 326. Outgoing r'ship
FOUND_INto/from Solanum Villosum (Plant) Rel Props:Reference: - 327. Outgoing r'ship
FOUND_INto/from Solanum Violaceum (Plant) Rel Props:Reference: - 328. Outgoing r'ship
FOUND_INto/from Solanum Virginianum (Plant) Rel Props:Reference: - 329. Outgoing r'ship
FOUND_INto/from Solanum Wrightii (Plant) Rel Props:Reference: - 330. Outgoing r'ship
FOUND_INto/from Solanum Xanthocarpum (Plant) Rel Props:Reference: - 331. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all - 332. Outgoing r'ship
FOUND_INto/from Yucca Elata (Plant) Rel Props:Reference: - 333. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all