Sparassol
PubChem CID: 596344
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Sparassol, Methyl everninate, 520-43-4, Everninate methyl, Methyl 2-hydroxy-4-methoxy-6-methylbenzoate, Sparassol [MI], UNII-49LGW9K0EH, 49LGW9K0EH, Methyl 4-methoxy-6-methylsalicylate, Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, methyl ester, 2-Hydroxy-4-methoxy-6-methylbenzoic acid methyl ester, 2-Hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester, Spectrum2_000404, Spectrum3_000264, Spectrum4_000951, Spectrum5_001794, METHYL EVERNINIC ACID, BSPBio_001708, KBioGR_001562, SPECTRUM210924, SCHEMBL950536, SPBio_000328, CHEMBL1595401, CHEBI:92544, KBio3_001208, DTXSID901028412, CCG-38673, methyl 4-methoxy-6-methyl-salicylate, AKOS000278016, HY-W573700, SDCCGMLS-0066908.P001, NCGC00095818-01, NCGC00095818-02, DA-53073, PD119036, CS-0612495, Methyl 2-hydroxy-4-methoxy-6-methylbenzoate #, Methyl 2-hydroxy-4-methoxy-6-methylbenzoic acid, SR-05000002435, SR-05000002435-1, BRD-K31477169-001-01-3, Q15427855 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P15428, P08684, O15296 |
| Iupac Name | methyl 2-hydroxy-4-methoxy-6-methylbenzoate |
| Prediction Hob | 1.0 |
| Target Id | NPT151, NPT109 |
| Xlogp | 2.3 |
| Molecular Formula | C10H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PFVPJOAAHSOENR-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Logs | -2.568 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.699 |
| Compound Name | Sparassol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 196.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.630895257142857 |
| Inchi | InChI=1S/C10H12O4/c1-6-4-7(13-2)5-8(11)9(6)10(12)14-3/h4-5,11H,1-3H3 |
| Smiles | CC1=CC(=CC(=C1C(=O)OC)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Rhododendron Molle (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all