1-(Furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione
PubChem CID: 40303
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| Compound Synonyms | 10-Hydroxymyoporone, 52259-61-7, MYOPORONE, 7-HYDROXY, 1-furan-3-yl-7-hydroxy-4,8-dimethylnonane-1,6-dione, 1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione, NSC256945, 7-HYDROXY-MYOPORONE, SCHEMBL22501689, DTXSID70966629, CHEBI:174496, AKOS015905095, 1-(3-furyl)-7-hydroxy-4,8-dimethyl-1,6-nonanedione, 1-(uran-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione |
|---|---|
| Topological Polar Surface Area | 67.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | HCPDJZNVPUCXHZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 8.0 |
| Synonyms | 1-furan-3-yl-7-hydroxy-4,8-dimethylnonane-1,6-dione, 1,6-Nonanedione, 4,8-dimethyl-1-(3-furyl)-7-hydroxy-, 10-Hydroxymyoporone, 4,8-Dimethyl-1-(3-furyl)-7-hydroxy-1,6-nonanedione, 7-HYDROXY-myoporone, 7-Hydroxymyoporone, MYOPORONE, 7-HYDROXY, MYOPORONE, 7-HYDROXY- |
| Heavy Atom Count | 19.0 |
| Compound Name | 1-(Furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione |
| Description | Stress metabolite of the sweet potato infected with Ceratocystis fimbriata. 10-Hydroxymyoporone is found in sweet potato and root vegetables. |
| Exact Mass | 266.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.152 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 266.33 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(furan-3-yl)-7-hydroxy-4,8-dimethylnonane-1,6-dione |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H22O4/c1-10(2)15(18)14(17)8-11(3)4-5-13(16)12-6-7-19-9-12/h6-7,9-11,15,18H,4-5,8H2,1-3H3 |
| Smiles | CC(C)C(C(=O)CC(C)CCC(=O)C1=COC=C1)O |
| Xlogp | 2.6 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H22O4 |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Source_db:fooddb_chem_all