Benzyl 2,6-dihydroxybenzoate
PubChem CID: 10586364
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| Compound Synonyms | Benzyl 2,6-dihydroxybenzoate, 2,6-Dihydroxybenzoic Acid Benzyl Ester, 85985-75-7, Verimol K, SCHEMBL3919215, DTXSID30442151, DB-129715 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCC1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Simple phenolic acids |
| Deep Smiles | O=CccO)cccc6O)))))))OCcccccc6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC(OCC1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzyl 2,6-dihydroxybenzoate |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H12O4 |
| Scaffold Graph Node Bond Level | O=C(OCc1ccccc1)c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UONCJNZKQVIGHS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.111 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.366 |
| Synonyms | benzyl 2,6-dihydroxybenzoate |
| Esol Class | Soluble |
| Functional Groups | cC(=O)OC, cO |
| Compound Name | Benzyl 2,6-dihydroxybenzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.5429585333333327 |
| Inchi | InChI=1S/C14H12O4/c15-11-7-4-8-12(16)13(11)14(17)18-9-10-5-2-1-3-6-10/h1-8,15-16H,9H2 |
| Smiles | C1=CC=C(C=C1)COC(=O)C2=C(C=CC=C2O)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
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FOUND_INto/from Euphorbia Sapinii (Plant) Rel Props:Reference: - 209. Outgoing r'ship
FOUND_INto/from Euphorbia Segetalis (Plant) Rel Props:Reference: - 210. Outgoing r'ship
FOUND_INto/from Euphorbia Serpens (Plant) Rel Props:Reference: - 211. Outgoing r'ship
FOUND_INto/from Euphorbia Sieboldiana (Plant) Rel Props:Reference: - 212. Outgoing r'ship
FOUND_INto/from Euphorbia Sikkimensis (Plant) Rel Props:Reference: - 213. Outgoing r'ship
FOUND_INto/from Euphorbia Splendens (Plant) Rel Props:Reference: - 214. Outgoing r'ship
FOUND_INto/from Euphorbia Stepposa (Plant) Rel Props:Reference: - 215. Outgoing r'ship
FOUND_INto/from Euphorbia Stracheyi (Plant) Rel Props:Reference: - 216. Outgoing r'ship
FOUND_INto/from Euphorbia Supina (Plant) Rel Props:Reference: - 217. Outgoing r'ship
FOUND_INto/from Euphorbia Thomsoniana (Plant) Rel Props:Reference: - 218. Outgoing r'ship
FOUND_INto/from Euphorbia Thymifolia (Plant) Rel Props:Reference: - 219. Outgoing r'ship
FOUND_INto/from Euphorbia Tibetica (Plant) Rel Props:Reference: - 220. Outgoing r'ship
FOUND_INto/from Euphorbia Tirucalli (Plant) Rel Props:Reference: - 221. Outgoing r'ship
FOUND_INto/from Euphorbia Tithymaloides (Plant) Rel Props:Reference: - 222. Outgoing r'ship
FOUND_INto/from Euphorbia Tortilis (Plant) Rel Props:Reference: - 223. Outgoing r'ship
FOUND_INto/from Euphorbia Trigona (Plant) Rel Props:Reference: - 224. Outgoing r'ship
FOUND_INto/from Euphorbia Turczaninowii (Plant) Rel Props:Reference: - 225. Outgoing r'ship
FOUND_INto/from Euphorbia Umbellata (Plant) Rel Props:Reference: - 226. Outgoing r'ship
FOUND_INto/from Euphorbia Wallichii (Plant) Rel Props:Reference: - 227. Outgoing r'ship
FOUND_INto/from Euphorbia Wangii (Plant) Rel Props:Reference: - 228. Outgoing r'ship
FOUND_INto/from Euphrasia Officinalis (Plant) Rel Props:Reference: - 229. Outgoing r'ship
FOUND_INto/from Evodia Rutaecarpa (Plant) Rel Props:Reference: - 230. Outgoing r'ship
FOUND_INto/from Ferula Foetida (Plant) Rel Props:Reference: - 231. Outgoing r'ship
FOUND_INto/from Fumaria Officinalis (Plant) Rel Props:Reference: - 232. Outgoing r'ship
FOUND_INto/from Furcaria Foetida (Plant) Rel Props:Reference: - 233. Outgoing r'ship
FOUND_INto/from Furcraea Foetida (Plant) Rel Props:Reference: - 234. Outgoing r'ship
FOUND_INto/from Galega Officinalis (Plant) Rel Props:Reference: - 235. Outgoing r'ship
FOUND_INto/from Galipea Officinalis (Plant) Rel Props:Reference: - 236. Outgoing r'ship
FOUND_INto/from Galium Verum (Plant) Rel Props:Reference: - 237. Outgoing r'ship
FOUND_INto/from Gratiola Officinalis (Plant) Rel Props:Reference: - 238. Outgoing r'ship
FOUND_INto/from Gynochthodes Officinalis (Plant) Rel Props:Reference: - 239. Outgoing r'ship
FOUND_INto/from Hyssopus Officinalis (Plant) Rel Props:Reference: - 240. Outgoing r'ship
FOUND_INto/from Illicium Anisatum (Plant) Rel Props:Reference: - 241. Outgoing r'ship
FOUND_INto/from Illicium Difengpi (Plant) Rel Props:Reference: - 242. Outgoing r'ship
FOUND_INto/from Illicium Griffithii (Plant) Rel Props:Reference: - 243. Outgoing r'ship
FOUND_INto/from Illicium Henryi (Plant) Rel Props:Reference: - 244. Outgoing r'ship
FOUND_INto/from Illicium Jiadifengpi (Plant) Rel Props:Reference: - 245. Outgoing r'ship
FOUND_INto/from Illicium Majus (Plant) Rel Props:Reference: - 246. Outgoing r'ship
FOUND_INto/from Illicium Minwanense (Plant) Rel Props:Reference: - 247. Outgoing r'ship
FOUND_INto/from Illicium Religiosum (Plant) Rel Props:Reference: - 248. Outgoing r'ship
FOUND_INto/from Illicium Simonsii (Plant) Rel Props:Reference: - 249. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 250. Outgoing r'ship
FOUND_INto/from Kopsia Officinalis (Plant) Rel Props:Reference: - 251. Outgoing r'ship
FOUND_INto/from Laricifomes Officinalis (Plant) Rel Props:Reference: - 252. Outgoing r'ship
FOUND_INto/from Lavandula Officinalis (Plant) Rel Props:Reference: - 253. Outgoing r'ship
FOUND_INto/from Lepisanthes Rubiginosa (Plant) Rel Props:Reference: - 254. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Reference: - 255. Outgoing r'ship
FOUND_INto/from Mandragora Officinalis (Plant) Rel Props:Reference: - 256. Outgoing r'ship
FOUND_INto/from Mappia Foetida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 257. Outgoing r'ship
FOUND_INto/from Melilotus Officinalis (Plant) Rel Props:Reference: - 258. Outgoing r'ship
FOUND_INto/from Melissa Officinalis (Plant) Rel Props:Reference: - 259. Outgoing r'ship
FOUND_INto/from Mesembryanthemum Anatomicum (Plant) Rel Props:Reference: - 260. Outgoing r'ship
FOUND_INto/from Mesembryanthemum Crystallinum (Plant) Rel Props:Reference: - 261. Outgoing r'ship
FOUND_INto/from Mesembryanthemum Edule (Plant) Rel Props:Reference: - 262. Outgoing r'ship
FOUND_INto/from Mesembryanthemum Expansum (Plant) Rel Props:Reference: - 263. Outgoing r'ship
FOUND_INto/from Mesembryanthemum Tortuosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 264. Outgoing r'ship
FOUND_INto/from Millettia Rubiginosa (Plant) Rel Props:Reference: - 265. Outgoing r'ship
FOUND_INto/from Myristica Officinalis (Plant) Rel Props:Reference: - 266. Outgoing r'ship
FOUND_INto/from Nauclea Officinalis (Plant) Rel Props:Reference: - 267. Outgoing r'ship
FOUND_INto/from Ononis Viscosa (Plant) Rel Props:Reference: - 268. Outgoing r'ship
FOUND_INto/from Paederia Foetida (Plant) Rel Props:Reference: - 269. Outgoing r'ship
FOUND_INto/from Paeonia Officinalis (Plant) Rel Props:Reference: - 270. Outgoing r'ship
FOUND_INto/from Paramignya Monophylla (Plant) Rel Props:Reference: - 271. Outgoing r'ship
FOUND_INto/from Passiflora Foetida (Plant) Rel Props:Reference: - 272. Outgoing r'ship
FOUND_INto/from Petasites Officinalis (Plant) Rel Props:Reference: - 273. Outgoing r'ship
FOUND_INto/from Pimenta Officinalis (Plant) Rel Props:Reference: - 274. Outgoing r'ship
FOUND_INto/from Pinus Aristata (Plant) Rel Props:Reference: - 275. Outgoing r'ship
FOUND_INto/from Pinus Armandii (Plant) Rel Props:Reference: - 276. Outgoing r'ship
FOUND_INto/from Pinus Banksiana (Plant) Rel Props:Reference: - 277. Outgoing r'ship
FOUND_INto/from Pinus Brutia (Plant) Rel Props:Reference: - 278. Outgoing r'ship
FOUND_INto/from Pinus Bungeana (Plant) Rel Props:Reference: - 279. Outgoing r'ship
FOUND_INto/from Pinus Canariensis (Plant) Rel Props:Reference: - 280. Outgoing r'ship
FOUND_INto/from Pinus Cembra (Plant) Rel Props:Reference: - 281. Outgoing r'ship
FOUND_INto/from Pinus Densiflora (Plant) Rel Props:Reference: - 282. Outgoing r'ship
FOUND_INto/from Pinus Edulis (Plant) Rel Props:Reference: - 283. Outgoing r'ship
FOUND_INto/from Pinus Elliottii (Plant) Rel Props:Reference: - 284. Outgoing r'ship
FOUND_INto/from Pinus Excelsa (Plant) Rel Props:Reference: - 285. Outgoing r'ship
FOUND_INto/from Pinus Flexilis (Plant) Rel Props:Reference: - 286. Outgoing r'ship
FOUND_INto/from Pinus Gerardiana (Plant) Rel Props:Reference: - 287. Outgoing r'ship
FOUND_INto/from Pinus Glauca (Plant) Rel Props:Reference: - 288. Outgoing r'ship
FOUND_INto/from Pinus Griffithi (Plant) Rel Props:Reference: - 289. Outgoing r'ship
FOUND_INto/from Pinus Halepensis (Plant) Rel Props:Reference: - 290. Outgoing r'ship
FOUND_INto/from Pinus Heldreichii (Plant) Rel Props:Reference: - 291. Outgoing r'ship
FOUND_INto/from Pinus Kesiya (Plant) Rel Props:Reference: - 292. Outgoing r'ship
FOUND_INto/from Pinus Koraiensis (Plant) Rel Props:Reference: - 293. Outgoing r'ship
FOUND_INto/from Pinus Krempfii (Plant) Rel Props:Reference: - 294. Outgoing r'ship
FOUND_INto/from Pinus Longifolia (Plant) Rel Props:Reference: - 295. Outgoing r'ship
FOUND_INto/from Pinus Massoniana (Plant) Rel Props:Reference: - 296. Outgoing r'ship
FOUND_INto/from Pinus Merkusii (Plant) Rel Props:Reference: - 297. Outgoing r'ship
FOUND_INto/from Pinus Monophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 298. Outgoing r'ship
FOUND_INto/from Pinus Monticola (Plant) Rel Props:Reference: - 299. Outgoing r'ship
FOUND_INto/from Pinus Mugo (Plant) Rel Props:Reference: - 300. Outgoing r'ship
FOUND_INto/from Pinus Palustris (Plant) Rel Props:Reference: - 301. Outgoing r'ship
FOUND_INto/from Pinus Picea (Plant) Rel Props:Reference: - 302. Outgoing r'ship
FOUND_INto/from Pinus Pinaster (Plant) Rel Props:Reference: - 303. Outgoing r'ship
FOUND_INto/from Pinus Pumila (Plant) Rel Props:Reference: - 304. Outgoing r'ship
FOUND_INto/from Pinus Radiata (Plant) Rel Props:Reference: - 305. Outgoing r'ship
FOUND_INto/from Pinus Resinosa (Plant) Rel Props:Reference: - 306. Outgoing r'ship
FOUND_INto/from Pinus Rigida (Plant) Rel Props:Reference: - 307. Outgoing r'ship
FOUND_INto/from Pinus Roxburghii (Plant) Rel Props:Reference: - 308. Outgoing r'ship
FOUND_INto/from Pinus Sibirica (Plant) Rel Props:Reference: - 309. Outgoing r'ship
FOUND_INto/from Pinus Sitchensis (Plant) Rel Props:Reference: - 310. Outgoing r'ship
FOUND_INto/from Pinus Strobus (Plant) Rel Props:Reference: - 311. Outgoing r'ship
FOUND_INto/from Pinus Sylvestris (Plant) Rel Props:Reference: - 312. Outgoing r'ship
FOUND_INto/from Pinus Taeda (Plant) Rel Props:Reference: - 313. Outgoing r'ship
FOUND_INto/from Pinus Thunbergii (Plant) Rel Props:Reference: - 314. Outgoing r'ship
FOUND_INto/from Pinus Wallichiana (Plant) Rel Props:Reference: - 315. Outgoing r'ship
FOUND_INto/from Pinus Yunnanensis (Plant) Rel Props:Reference: - 316. Outgoing r'ship
FOUND_INto/from Polygonum Tortuosum (Plant) Rel Props:Reference: - 317. Outgoing r'ship
FOUND_INto/from Potentilla Viscosa (Plant) Rel Props:Reference: - 318. Outgoing r'ship
FOUND_INto/from Pothos Officinalis (Plant) Rel Props:Reference: - 319. Outgoing r'ship
FOUND_INto/from Primula Viscosa (Plant) Rel Props:Reference: - 320. Outgoing r'ship
FOUND_INto/from Ptelea Viscosa (Plant) Rel Props:Reference: - 321. Outgoing r'ship
FOUND_INto/from Pterocarpus Officinalis (Plant) Rel Props:Reference: - 322. Outgoing r'ship
FOUND_INto/from Rhododendron Formosanum (Plant) Rel Props:Reference: - 323. Outgoing r'ship
FOUND_INto/from Rosa Foetida (Plant) Rel Props:Reference: - 324. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Reference: - 325. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference: - 326. Outgoing r'ship
FOUND_INto/from Sanguisorba Officinalis (Plant) Rel Props:Reference: - 327. Outgoing r'ship
FOUND_INto/from Saponaria Officinalis (Plant) Rel Props:Reference: - 328. Outgoing r'ship
FOUND_INto/from Saracha Viscosa (Plant) Rel Props:Reference: - 329. Outgoing r'ship
FOUND_INto/from Sassafras Officinalis (Plant) Rel Props:Reference: - 330. Outgoing r'ship
FOUND_INto/from Satureja Atropatana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 331. Outgoing r'ship
FOUND_INto/from Satureja Cuneifolia (Plant) Rel Props:Reference: - 332. Outgoing r'ship
FOUND_INto/from Satureja Hortensis (Plant) Rel Props:Reference: - 333. Outgoing r'ship
FOUND_INto/from Satureja Montana (Plant) Rel Props:Reference: - 334. Outgoing r'ship
FOUND_INto/from Satureja Odora (Plant) Rel Props:Reference: - 335. Outgoing r'ship
FOUND_INto/from Satureja Thymbra (Plant) Rel Props:Reference: - 336. Outgoing r'ship
FOUND_INto/from Satureja Vulgaris (Plant) Rel Props:Reference: - 337. Outgoing r'ship
FOUND_INto/from Scindapsus Officinalis (Plant) Rel Props:Reference: - 338. Outgoing r'ship
FOUND_INto/from Sedum Formosanum (Plant) Rel Props:Reference: - 339. Outgoing r'ship
FOUND_INto/from Semecarpus Anacardium (Plant) Rel Props:Reference: - 340. Outgoing r'ship
FOUND_INto/from Semicarpus Anacardium (Plant) Rel Props:Reference: - 341. Outgoing r'ship
FOUND_INto/from Seseli Tortuosum (Plant) Rel Props:Reference: - 342. Outgoing r'ship
FOUND_INto/from Stemodia Viscosa (Plant) Rel Props:Reference: - 343. Outgoing r'ship
FOUND_INto/from Sterculia Foetida (Plant) Rel Props:Reference: - 344. Outgoing r'ship
FOUND_INto/from Sterculia Rubiginosa (Plant) Rel Props:Reference: - 345. Outgoing r'ship
FOUND_INto/from Styrax Officinalis (Plant) Rel Props:Reference: - 346. Outgoing r'ship
FOUND_INto/from Taraxacum Formosanum (Plant) Rel Props:Reference: - 347. Outgoing r'ship
FOUND_INto/from Uvaria Grandiflora (Plant) Rel Props:Reference:ISBN:9788185042114 - 348. Outgoing r'ship
FOUND_INto/from Valeriana Officinalis (Plant) Rel Props:Reference: - 349. Outgoing r'ship
FOUND_INto/from Verbena Officinalis (Plant) Rel Props:Reference: - 350. Outgoing r'ship
FOUND_INto/from Verbesina Encelioides (Plant) Rel Props:Reference:ISBN:9788185042114 - 351. Outgoing r'ship
FOUND_INto/from Viscaria Viscosa (Plant) Rel Props:Reference: - 352. Outgoing r'ship
FOUND_INto/from Voacanga Foetida (Plant) Rel Props:Reference: