5-Hydroxyveratric acid
PubChem CID: 74709
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| Compound Synonyms | 3-Hydroxy-4,5-dimethoxybenzoic acid, 1916-08-1, 3,4-Dimethoxy-5-hydroxybenzoic acid, 5-Hydroxyveratric acid, 3,4-o-dimethylgallic acid, 5-Hydroxy-3,4-dimethoxybenzoic acid, J6FH4N7RMW, NSC-19885, Benzoic acid, 3-hydroxy-4,5-dimethoxy-, CHEBI:88603, DTXSID90172689, VERATRIC ACID, 5-HYDROXY-, 3-Hydroxy-4,5-dimethoxybenzoicacid, EINECS 217-630-9, NSC 19885, 3,4-Dimethoxy-5-hydroxy benzoic acid, GALLIC ACID, 3,4-DIMETHYL ETHER, 5-Hydroxy veratric acid, NSC19885, DMHBA, UNII-J6FH4N7RMW, TRIMEBUTINE_met021, CHEMBL85234, SCHEMBL503998, DTXCID4095180, MFCD00002508, 3-Hydroxy-4,5-dimethoxy-benzoic acid, AKOS000277314, FH70118, AS-62460, DB-044772, CS-0328421, NS00044951, E79016, BRD-K13195996-001-01-2, Q27160492, 3,4-Dimethoxy-5-hydroxybenzoic acid, 3-Hydroxy-4,5-dimethoxybenzoic acid, 217-630-9 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Description | A polyphenol metabolite detected in biological fluids [PhenolExplorer] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22734, P51580 |
| Iupac Name | 3-hydroxy-4,5-dimethoxybenzoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT2230 |
| Xlogp | 1.0 |
| Molecular Formula | C9H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WFIBQVFJXGQICQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -1.711 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.974 |
| Compound Name | 5-Hydroxyveratric acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 198.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8430216571428568 |
| Inchi | InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12) |
| Smiles | COC1=CC(=CC(=C1OC)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all