5-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethylpyrano[2,3-h]chromen-4-one
PubChem CID: 11441072
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 760.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C25H24O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICIKOMSKEPJTII-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.415 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.118 |
| Compound Name | 5-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 404.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 404.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.7447310666666676 |
| Inchi | InChI=1S/C25H24O5/c1-14(2)5-6-16-11-15(7-8-19(16)26)18-13-29-24-17-9-10-25(3,4)30-21(17)12-20(27)22(24)23(18)28/h5,7-13,26-27H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Derris Scandens (Plant) Rel Props:Source_db:cmaup_ingredients