10,11-Dihydro-6-oxoatlantone
PubChem CID: 101289687
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| Compound Synonyms | 3,7-Bisaboladiene-2,8-dione, 10,11-Dihydro-6-oxoatlantone, CHEBI:196133, (E)-5-(1,5-Dimethyl-3-oxo-1-hexenyl)-2-methyl-2-cyclohexen-1-one, 2-methyl-5-[(Z)-6-methyl-4-oxohept-2-en-2-yl]cyclohex-2-en-1-one |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | KXTCYNARSLCXMW-WQLSENKSSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | (E)-5-(1,5-Dimethyl-3-oxo-1-hexenyl)-2-methyl-2-cyclohexen-1-one, 10,11-Dihydro-6-oxoatlantone, 3,7-Bisaboladiene-2,8-dione |
| Heavy Atom Count | 17.0 |
| Compound Name | 10,11-Dihydro-6-oxoatlantone |
| Description | Constituent of Ginkgo biloba (ginkgo). 10,11-Dihydro-6-oxoatlantone is found in ginkgo nuts and fats and oils. |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-[(Z)-6-methyl-4-oxohept-2-en-2-yl]cyclohex-2-en-1-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5,8,10,13H,6-7,9H2,1-4H3/b12-8- |
| Smiles | CC1=CCC(CC1=O)/C(=C\C(=O)CC(C)C)/C |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C15H22O2 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:fooddb_chem_all