Baohuosu
PubChem CID: 5321664
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| Compound Synonyms | Baohuosu, 119730-90-4, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one, 5,7,4'-Trihydroxy'3',5'-dimethoxyl-8-prenylflavone, DTXSID50152563, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-8-(3-methyl-2-butenyl)-, DTXCID7075054, CHEBI:178244, LMPK12110871 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 640.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C22H22O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FGQYLXHJJYBZGT-UHFFFAOYSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -3.604 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.907 |
| Compound Name | Baohuosu |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 398.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 398.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 398.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.750924062068966 |
| Inchi | InChI=1S/C22H22O7/c1-11(2)5-6-13-14(23)9-15(24)20-16(25)10-17(29-22(13)20)12-7-18(27-3)21(26)19(8-12)28-4/h5,7-10,23-24,26H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC(=C(C(=C3)OC)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Davidii (Plant) Rel Props:Source_db:cmaup_ingredients