5,7-Dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
PubChem CID: 5318849
Connections displayed (default: 10).
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| 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-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C25H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BKDCZFLMVDSLJS-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.438 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.431 |
| Compound Name | 5,7-Dihydroxy-3-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(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)5-6-15-18(26)11-21-22(23(15)28)24(29)17(12-30-21)16-9-14-7-8-25(3,4)31-20(14)10-19(16)27/h5,7-12,26-28H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eriosema Kraussianum (Plant) Rel Props:Source_db:cmaup_ingredients