3-(2,4-Dihydroxyphenyl)-7-hydroxy-6-(3-methylbut-2-enyl)-4-oxochromen-5-olate
PubChem CID: 25245991
Connections displayed (default: 10).
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| Compound Synonyms | 6-isopentenyl-2'-hydroxygenistein |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 593.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,4-dihydroxyphenyl)-7-hydroxy-6-(3-methylbut-2-enyl)-4-oxochromen-5-olate |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C20H17O6- |
| Prediction Swissadme | 0.0 |
| Inchi Key | MMPVAPMCVABQPS-UHFFFAOYSA-M |
| Fcsp3 | 0.15 |
| Logs | -3.175 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.619 |
| Compound Name | 3-(2,4-Dihydroxyphenyl)-7-hydroxy-6-(3-methylbut-2-enyl)-4-oxochromen-5-olate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 353.103 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 353.103 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 353.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.461654615384616 |
| Inchi | InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3/p-1 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C(C=C3)O)O)[O-])C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lupinus Albus (Plant) Rel Props:Source_db:cmaup_ingredients