Sulochrin
PubChem CID: 160505
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| Compound Synonyms | Sulochrin, 519-57-3, Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate, UNII-8NA53C271Z, CHEBI:16159, 8NA53C271Z, Benzoic acid, 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxy-, methyl ester, DTXSID80199860, m-Anisic acid, 5-hydroxy-2-(4-methyl-.gamma.-resorcyloyl)-, methyl ester, m-Anisic acid, 5-hydroxy-2-(4-methyl-gamma-resorcyloyl)-, methyl ester, MLS000863634, CHEMBL61133, SCHEMBL233392, MEGxm0_000192, ACon0_000926, ACon1_000208, DTXCID40122351, HMS2268H19, MFCD07370145, Sulochrin, >=98% (HPLC), solid, AKOS030615357, NCGC00180780-01, DA-78112, SMR000440729, HY-105713, CS-0026511, NS00011735, C00495, BRD-K94458351-001-01-5, Q27098405, m-Anisic acid, 5-hydroxy-2-(4-methyl--resorcyloyl)-, methyl ester, methyl 2-(2,6-dihydroxy-4-methyl-benzoyl)-5-hydroxy-3-methoxy-benzoate, Methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate # |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 454.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P46063, P51450, P06746, P10253, O75164, Q13951, Q9UNA4, Q9Y253, Q9UBT6, P84022, P07378, O75496, Q9NUW8, Q03431, P27695 |
| Iupac Name | methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate |
| Prediction Hob | 1.0 |
| Target Id | NPT47, NPT59, NPT60 |
| Xlogp | 2.9 |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YJRLSCDUYLRBIZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.839 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.715 |
| Compound Name | Sulochrin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7925096000000003 |
| Inchi | InChI=1S/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3 |
| Smiles | CC1=CC(=C(C(=C1)O)C(=O)C2=C(C=C(C=C2OC)O)C(=O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pteris Linearis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all