3,4-Dihydroxy-5-methoxybenzoic acid
PubChem CID: 19829
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| Compound Synonyms | 3,4-dihydroxy-5-methoxybenzoic acid, 3934-84-7, 3-O-Methylgallic acid, 3,4-Dihydroxy-5-methoxy-benzoic acid, 5-hydroxyvanillic acid, 4,5-Dihydroxy-m-anisic acid, gallic acid 3-methyl ether, MFCD00016518, Benzoic acid, 3,4-dihydroxy-5-methoxy-, CHEMBL5283256, 8JA4OZ7166, 3-methoxy-4,5-dihydroxybenzoic acid, 4,5-dihydroxy-3-methoxybenzoic acid, 3-Methoxy-4,5-Bis(Oxidanyl)benzoic Acid, UNII-8JA4OZ7166, 3,4-Dihydroxy-5-methoxy-benzoic acid, 4,5-Dihydroxy-m-anisic acid, Gallic acid 3-methyl ether, 5-Hydroxyvanillic acid, 3-Methoxygallic acid, 3-methylgallic acid, EINECS 223-512-8, 3,4-Dihydroxy-5-methoxy-benzoicacid, methylgallic acid,3-o-, SCHEMBL975675, CHEBI:28647, DTXSID10192561, HY-N2009, BDBM50610876, GEO-01103, AKOS005256836, AC-6626, DS-4064, FD70441, PROTOCATECHUIC ACID, 5-METHOXY-, PD158077, SY101288, DB-069798, CS-0018329, NS00030568, 5-Hydroxyvanillic acid, 3-O-Methylgallic acid, C05616, 3,4-Dihydroxy-5-methoxybenzoic acid, AldrichCPR, Q27103809, 7WR |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Description | Present in hydrolysed soy protein and oak aged wines and brandies. 3,4-Dihydroxy-5-methoxybenzoic acid is found in alcoholic beverages and pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-dihydroxy-5-methoxybenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C8H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KWCCUYSXAYTNKA-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -1.404 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.595 |
| Synonyms | 3-O-Methylgallic acid, 3,4-Dihydroxy-5-methoxybenzoic acid, Gallic acid 3-methyl ether |
| Compound Name | 3,4-Dihydroxy-5-methoxybenzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 184.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6323002615384614 |
| Inchi | InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12) |
| Smiles | COC1=CC(=CC(=C1O)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Senecio Graciliflorus (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Senecio Grandiflorus (Plant) Rel Props:Reference: - 213. Outgoing r'ship
FOUND_INto/from Senecio Heliopsis (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Senecio Hohenackeri (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Senecio Integerrimus (Plant) Rel Props:Reference: - 216. Outgoing r'ship
FOUND_INto/from Senecio Isatideus (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Senecio Jacobaea (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Senecio Jacquemontianus (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Senecio Kaempferi (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Senecio Laetus (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Senecio Latifolius (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Senecio Longifolius (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Senecio Macrocephalus (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Senecio Macrophyllus (Plant) Rel Props:Reference: - 225. Outgoing r'ship
FOUND_INto/from Senecio Madagascariensis (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Senecio Mexicanus (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Senecio Microglossus (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Senecio Miser (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Senecio Nemorensis (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Senecio Nudicaulis (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Senecio Oryzetorum (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Senecio Othonniformis (Plant) Rel Props:Reference: - 233. Outgoing r'ship
FOUND_INto/from Senecio Paludaffinis (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Senecio Paucicazyculatus (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Senecio Platyphylloides (Plant) Rel Props:Reference: - 236. Outgoing r'ship
FOUND_INto/from Senecio Platyphyllus (Plant) Rel Props:Reference: - 237. Outgoing r'ship
FOUND_INto/from Senecio Polyodon (Plant) Rel Props:Reference: - 238. Outgoing r'ship
FOUND_INto/from Senecio Praecox (Plant) Rel Props:Reference: - 239. Outgoing r'ship
FOUND_INto/from Senecio Pyramidatus (Plant) Rel Props:Reference: - 240. Outgoing r'ship
FOUND_INto/from Senecio Quinquelobus (Plant) Rel Props:Reference: - 241. Outgoing r'ship
FOUND_INto/from Senecio Renardii (Plant) Rel Props:Reference: - 242. Outgoing r'ship
FOUND_INto/from Senecio Retrorsus (Plant) Rel Props:Reference: - 243. Outgoing r'ship
FOUND_INto/from Senecio Rivularis (Plant) Rel Props:Reference: - 244. Outgoing r'ship
FOUND_INto/from Senecio Roseus (Plant) Rel Props:Reference: - 245. Outgoing r'ship
FOUND_INto/from Senecio Rosmarinifolius (Plant) Rel Props:Reference: - 246. Outgoing r'ship
FOUND_INto/from Senecio Rufinervis (Plant) Rel Props:Reference: - 247. Outgoing r'ship
FOUND_INto/from Senecio Rupestris (Plant) Rel Props:Reference: - 248. Outgoing r'ship
FOUND_INto/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference: - 249. Outgoing r'ship
FOUND_INto/from Senecio Sandersonii (Plant) Rel Props:Reference: - 250. Outgoing r'ship
FOUND_INto/from Senecio Scandens (Plant) Rel Props:Reference: - 251. Outgoing r'ship
FOUND_INto/from Senecio Sinuatus (Plant) Rel Props:Reference: - 252. Outgoing r'ship
FOUND_INto/from Senecio Speciosus (Plant) Rel Props:Reference: - 253. Outgoing r'ship
FOUND_INto/from Senecio Squalidus (Plant) Rel Props:Reference: - 254. Outgoing r'ship
FOUND_INto/from Senecio Suaveolens (Plant) Rel Props:Reference: - 255. Outgoing r'ship
FOUND_INto/from Senecio Subdentatus (Plant) Rel Props:Reference: - 256. Outgoing r'ship
FOUND_INto/from Senecio Taiwanensis (Plant) Rel Props:Reference: - 257. Outgoing r'ship
FOUND_INto/from Senecio Tenuifolius (Plant) Rel Props:Reference: - 258. Outgoing r'ship
FOUND_INto/from Senecio Tibeticus (Plant) Rel Props:Reference: - 259. Outgoing r'ship
FOUND_INto/from Senecio Toluccanus (Plant) Rel Props:Reference: - 260. Outgoing r'ship
FOUND_INto/from Senecio Tricephalus (Plant) Rel Props:Reference: - 261. Outgoing r'ship
FOUND_INto/from Senecio Variabilis (Plant) Rel Props:Reference: - 262. Outgoing r'ship
FOUND_INto/from Senecio Vellereus (Plant) Rel Props:Reference: - 263. Outgoing r'ship
FOUND_INto/from Senecio Viscosus (Plant) Rel Props:Reference: - 264. Outgoing r'ship
FOUND_INto/from Senecio Vulgaris (Plant) Rel Props:Reference: - 265. Outgoing r'ship
FOUND_INto/from Senecio Zoellneri (Plant) Rel Props:Reference: - 266. Outgoing r'ship
FOUND_INto/from Senna Spectabilis (Plant) Rel Props:Reference: - 267. Outgoing r'ship
FOUND_INto/from Sida Alba (Plant) Rel Props:Reference: - 268. Outgoing r'ship
FOUND_INto/from Sidastrum Acuminatum (Plant) Rel Props:Reference: - 269. Outgoing r'ship
FOUND_INto/from Sinapis Alba (Plant) Rel Props:Reference: - 270. Outgoing r'ship
FOUND_INto/from Sonneratia Alba (Plant) Rel Props:Reference: - 271. Outgoing r'ship
FOUND_INto/from Stachys Sylvatica (Plant) Rel Props:Reference: - 272. Outgoing r'ship
FOUND_INto/from Stevia Purpurea (Plant) Rel Props:Reference: - 273. Outgoing r'ship
FOUND_INto/from Stillingia Sylvatica (Plant) Rel Props:Reference: - 274. Outgoing r'ship
FOUND_INto/from Tephorisa Purpurea (Plant) Rel Props:Reference: - 275. Outgoing r'ship
FOUND_INto/from Tephrosia Purpurea (Plant) Rel Props:Reference: - 276. Outgoing r'ship
FOUND_INto/from Terminalia Crenulata (Plant) Rel Props:Reference: - 277. Outgoing r'ship
FOUND_INto/from Uncaria Longiflora (Plant) Rel Props:Reference: - 278. Outgoing r'ship
FOUND_INto/from Unonopsis Glaucopetala (Plant) Rel Props:Reference: - 279. Outgoing r'ship
FOUND_INto/from Viburnum Acuminatum (Plant) Rel Props:Reference: - 280. Outgoing r'ship
FOUND_INto/from Vicia Amoena (Plant) Rel Props:Reference: - 281. Outgoing r'ship
FOUND_INto/from Vicia Amurensis (Plant) Rel Props:Reference: - 282. Outgoing r'ship
FOUND_INto/from Vicia Balansae (Plant) Rel Props:Reference: - 283. Outgoing r'ship
FOUND_INto/from Vicia Benghalensis (Plant) Rel Props:Reference: - 284. Outgoing r'ship
FOUND_INto/from Vicia Faba (Plant) Rel Props:Reference: - 285. Outgoing r'ship
FOUND_INto/from Vicia Hirsuta (Plant) Rel Props:Reference: - 286. Outgoing r'ship
FOUND_INto/from Vicia Sativa (Plant) Rel Props:Reference: - 287. Outgoing r'ship
FOUND_INto/from Vicia Villosa (Plant) Rel Props:Reference: - 288. Outgoing r'ship
FOUND_INto/from Viola Sylvatica (Plant) Rel Props:Reference: