Glyasperin A
PubChem CID: 5481963
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| Compound Synonyms | Glyasperin A, 142474-52-0, GlyasperinA, 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one, DTXSID80162054, 3,5,7-Trihydroxy-2-(4-hydroxy-3-(3-methyl-but-2-enyl)-phenyl)-6-((Z)-3-methyl-but-2-enyl)-1-benzopyran-4-one, 3,5,7-Trihydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-, 3,5,7-trihydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-6-(3-methylbut-2-enyl)chromen-4-one, 3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-but-2-enyl)-phenyl]-6-((Z)-3-methyl-but-2-enyl)-1-benzopyran-4-one, CHEMBL4643448, DTXCID2084545, SCHEMBL24075660, HY-N3956, SFA47452, LMPK12111985, AKOS032948820, DA-63811, FS-10345 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 758.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C25H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XHCCZOWAHHBCAK-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.92 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.036 |
| Compound Name | Glyasperin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.158992883870968 |
| Inchi | InChI=1S/C25H26O6/c1-13(2)5-7-15-11-16(8-10-18(15)26)25-24(30)23(29)21-20(31-25)12-19(27)17(22(21)28)9-6-14(3)4/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Aspera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients