7-Hydroxy-4'-methoxy-3'-prenylisoflavone
PubChem CID: 14585515
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| Compound Synonyms | 7-hydroxy-4'-methoxy-3'-prenylisoflavone, 7-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one, 7-hydroxy-3-(4-methoxy-3-(3-methylbut-2-enyl)phenyl)chromen-4-one, 5-Deoxy-3'-prenylbiochanin a, SCHEMBL3358571, CHEMBL4749236 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Is Pains | False |
| Molecular Formula | C21H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RUCMCGSYMSEMIR-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 7-Hydroxy-4'-methoxy-3'-prenylisoflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.136 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 336.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 336.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6110994000000005 |
| Inchi | InChI=1S/C21H20O4/c1-13(2)4-5-15-10-14(6-9-19(15)24-3)18-12-25-20-11-16(22)7-8-17(20)21(18)23/h4,6-12,22H,5H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)OC)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Sacleuxii (Plant) Rel Props:Source_db:cmaup_ingredients