Umbelliprenin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL156127 | |
| PubChem: | 1781413 | |
| IUPAC: | 7-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one | |
| Standard InChI: | InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9+,20-15+ | |
| Standard InChI Key: | GNMUGVNEWCZUAA-WOWYBKFKSA-N | |
| SMILES: | C/C(=CCOc1ccc2c(c1)oc(=O)cc2)/CC/C=C(/CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 6.59 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 2 | |
| Molecular Weight: | 366.22 | |
| Topological polar surface area: | 35.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.375 | |
| Number of carbons: | 24 | |