5,7-Dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8-(3-methylbut-2-enyl)chromen-4-one
PubChem CID: 118707718
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| Compound Synonyms | CHEMBL3314710 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 792.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C25H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LJVOUFXVBIKXNV-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.407 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.744 |
| Compound Name | 5,7-Dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 420.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 420.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.610693683870968 |
| Inchi | InChI=1S/C25H24O6/c1-13(2)5-6-16-17(26)11-18(27)22-19(28)12-21(30-24(16)22)15-9-14-7-8-25(3,4)31-23(14)20(29)10-15/h5,7-12,26-27,29H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC4=C(C(=C3)O)OC(C=C4)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients