6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid
PubChem CID: 40634
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| Compound Synonyms | trolox, 53188-07-1, 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, TROLOX C, 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid, 6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid, 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, EINECS 258-422-8, MFCD00006846, BRN 5052542, CHEBI:82625, S18UL9710X, TROLOX [MI], 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid, 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene-2-carboxylic acid, (+/-)-TROLOX, 6-hydroxy-2,5,7,8-tetramethyl-chromane-2-carboxylic acid, DTXSID60866306, 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (+-)-, (+/-)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, (R,S)-6-hydroxy-2,5,7,8-tetramethyl-2-chromanecarboxylic acid, (+/-)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid, 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid, ( inverted exclamation markA)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid, 56305-04-5, 6-HYDROXY-2,5,7,8-TETRAMETHYLCHROMAN-2-CARBOXYLIC ACID, (+/-)-, 2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-6-HYDROXY-2,5,7,8-TETRAMETHYL-, (+/-)-, (+--)-trolox, UNII-S18UL9710X, Trolox(TM), Prestwick_855, (S)-Trolox?, TROLOX [INCI], Prestwick0_000530, Prestwick1_000530, Prestwick2_000530, Prestwick3_000530, CHEMBL153, SCHEMBL3226, Oprea1_727377, BSPBio_000519, MLS002153860, SPBio_002440, BPBio1_000571, 6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid, DTXCID60220823, HMS1569J21, HMS2096J21, HMS2230A15, HMS3369E20, HMS3713J21, HMS3885K19, (+--)-6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, BCP16474, BBL103047, BDBM50359629, GEO-03688, s3665, STL556856, AKOS015856256, CCG-207912, CS-8035, FH45495, 2h-1-benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-, (+--)-, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2h-1-benzopyran-2- carboxylic acid, NCGC00179534-01, AS-30121, SMR001233218, DB-052268, DB-071631, HY-101445, H0726, NS00015501, EN300-370592, Q245489, SR-01000841227, SR-01000841227-2, BRD-A17846016-001-03-0, BRD-A17846016-001-07-1, BRD-A17846016-001-13-9, 6-hydroxy-2,5,7,8-tetramethychroman-2-carboxylic acid, 6-Hydroxy-2,5,7,8-tetramethyl-2-chromancarboxylic acid, Z3013814504, 6-Hydroxy-2,5,7,8-tetramethyl-2-chromanecarboxylic acid #, (6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)carboxylic acid, (+/-)- 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, (+/-)-6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid, 97%, 6-hydroxy-3,4-dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid, Trolox is also know as 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid. |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Description | Antioxidant used in food industry |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P07943, P02769, P12527, P35354, P47989, P23219, Q9BPW9, O42713, P22303, P06276 |
| Iupac Name | 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Class | Benzopyrans |
| Target Id | NPT31, NPT30, NPT204 |
| Xlogp | 2.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Molecular Formula | C14H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GLEVLJDDWXEYCO-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.922 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.368 |
| Synonyms | 6-Hydroxy-2,5,7,8-tetramethyl-2-chromancarboxylic acid, 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid, 6-Hydroxy-2,5,7,8-tetramethylchromane-2-carboxylic acid, Trolox, Trolox C, Trolox(TM), 6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid, 6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylate, 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylate, 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid, 6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromene-2-carboxylic acid, 3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2- carboxylic acid, (+--)-Trolox |
| Compound Name | 6-Hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 250.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 250.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -3.361689466666667 |
| Inchi | InChI=1S/C14H18O4/c1-7-8(2)12-10(9(3)11(7)15)5-6-14(4,18-12)13(16)17/h15H,5-6H2,1-4H3,(H,16,17) |
| Smiles | CC1=C(C2=C(CCC(O2)(C)C(=O)O)C(=C1O)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 1-benzopyrans |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Iwayomogi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Daphne Genkwa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Gardenia Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Palhinhaea Cernua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Sageretia Theezans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all