Everninic Acid
PubChem CID: 586575
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Everninic acid, 2-hydroxy-4-methoxy-6-methylbenzoic acid, 570-10-5, 2,6-Cresotic acid, 4-methoxy-, Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 2-Hydroxy-4-methoxy-6-methyl-benzoic acid, Everninsaure, EVERNINate, 5-O-Methylorsellinate, Spectrum5_001710, 5-O-methylorsellinic acid, SCHEMBL609931, CHEMBL1077577, CHEBI:191109, DTXSID401346865, 2-Hydroxy-4-methoxy-6-methylbenzoate, CCG-214768 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9Y6L6, Q9NPD5 |
| Iupac Name | 2-hydroxy-4-methoxy-6-methylbenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C9H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QUCZMUVAQHIOID-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.393 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.54 |
| Compound Name | Everninic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 182.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 182.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 182.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4264234615384614 |
| Inchi | InChI=1S/C9H10O4/c1-5-3-6(13-2)4-7(10)8(5)9(11)12/h3-4,10H,1-2H3,(H,11,12) |
| Smiles | CC1=CC(=CC(=C1C(=O)O)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mammea Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Usnea Longissima (Plant) Rel Props:Source_db:npass_chem_all