(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one
PubChem CID: 10970990
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL516781 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | OLRXRLGFFNYRIM-AIVCJUMWSA-N |
| Fcsp3 | 0.4583333333333333 |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 28.0 |
| Compound Name | (2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.214 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 697.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 382.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 1.0 |
| Esol | -5.601485714285715 |
| Inchi | InChI=1S/C24H30O4/c1-15(2)8-6-9-16(3)10-7-13-24(5)17(4)21-22(28-24)19-12-11-18(25)14-20(19)27-23(21)26/h8,10-12,14,17,25H,6-7,9,13H2,1-5H3/b16-10+/t17-,24-/m1/s1 |
| Smiles | C[C@@H]1C2=C(C3=C(C=C(C=C3)O)OC2=O)O[C@]1(C)CC/C=C(\C)/CCC=C(C)C |
| Xlogp | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C24H30O4 |
- 1. Outgoing r'ship
FOUND_INto/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients