Fukanefurochromone E
PubChem CID: 44584257
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| Compound Synonyms | Fukanefurochromone E, (2R,3R)-2-((4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl)-7-hydroxy-2,3-dimethyl-3H-furo(2,3-b)chromen-4-one, (2R,3R)-2-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one, CHEMBL456952, 872532-98-4 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | NKADAHGDGPLCME-AFVAUOOZSA-N |
| Fcsp3 | 0.4166666666666667 |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 29.0 |
| Compound Name | Fukanefurochromone E |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 396.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.194 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 770.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 396.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[2,3-b]chromen-4-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 1.0 |
| Esol | -5.080567013793106 |
| Inchi | InChI=1S/C24H28O5/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21-22(27)19-9-8-17(25)13-20(19)28-23(21)29-24/h8-9,11-13,16,25H,6-7,10H2,1-5H3/b15-12-/t16-,24-/m1/s1 |
| Smiles | C[C@@H]1C2=C(OC3=C(C2=O)C=CC(=C3)O)O[C@]1(C)CCC/C(=C\C(=O)C=C(C)C)/C |
| Xlogp | 5.2 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C24H28O5 |
- 1. Outgoing r'ship
FOUND_INto/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients