Corylifol B
PubChem CID: 10472405
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| Compound Synonyms | Corylifol B, 775351-90-1, (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one, (E)-1-(2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one, CHEMBL4063173, FS-7594 |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(3,4-dihydroxyphenyl)prop-2-en-1-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Is Pains | True |
| Molecular Formula | C20H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISKWCIVFBIHFTG-XBXARRHUSA-N |
| Fcsp3 | 0.15 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Corylifol B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 340.131 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 340.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 340.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.968025000000001 |
| Inchi | InChI=1S/C20H20O5/c1-12(2)3-6-14-17(22)10-7-15(20(14)25)16(21)8-4-13-5-9-18(23)19(24)11-13/h3-5,7-11,22-25H,6H2,1-2H3/b8-4+ |
| Smiles | CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC(=C(C=C2)O)O)O)C |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients