Morusignin L
PubChem CID: 44258298
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| Compound Synonyms | Morusignin L, 149733-95-9, 8-(2,4-dihydroxyphenyl)-5-hydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one, 8-(2,4-dihydroxyphenyl)-5-hydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethylpyrano(3,2-g)chromen-6-one, CHEMBL4203794, SCHEMBL15430272, CHEBI:186273, HY-N10370, LMPK12110928, DA-49426, CS-0435547, E89032, 2H,6H-Benzo[1,2-b:5,4-]dipyran-6-one, 8-(2,4-dihydroxyphenyl)-5-hydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethyl- |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 798.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(2,4-dihydroxyphenyl)-5-hydroxy-7-(3-hydroxy-3-methylbutyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Is Pains | False |
| Molecular Formula | C25H26O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XUHTYQLVSNYQKM-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.435 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.047 |
| Compound Name | Morusignin L |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 438.168 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 438.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 438.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.121551200000001 |
| Inchi | InChI=1S/C25H26O7/c1-24(2,30)9-7-16-22(29)20-19(31-23(16)14-6-5-13(26)11-17(14)27)12-18-15(21(20)28)8-10-25(3,4)32-18/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=C(O3)C4=C(C=C(C=C4)O)O)CCC(C)(C)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients