8-Prenyl-5,7,4'-trihydroxyisoflavone
PubChem CID: 25246032
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| Compound Synonyms | 8-prenyl-5,7,4'-trihydroxyisoflavone |
|---|---|
| Topological Polar Surface Area | 89.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 554.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-oxochromen-7-olate |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C20H17O5- |
| Prediction Swissadme | 0.0 |
| Inchi Key | YGCCASGFIOIXIN-UHFFFAOYSA-M |
| Fcsp3 | 0.15 |
| Logs | -3.091 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.01 |
| Compound Name | 8-Prenyl-5,7,4'-trihydroxyisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 337.108 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 337.108 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 337.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6011762 |
| Inchi | InChI=1S/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3/p-1 |
| Smiles | CC(=CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)[O-])C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Derris Scandens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lupinus Luteus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Piptanthus Nanus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Source_db:cmaup_ingredients