1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide
PubChem CID: 157010104
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| Compound Synonyms | 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide |
|---|---|
| Topological Polar Surface Area | 79.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | SCDDMRZFVFJIRF-DAXSKMNVSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide |
| Heavy Atom Count | 20.0 |
| Compound Name | 1,10-Epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide |
| Description | 1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. 1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide is soluble (in water) and a very weakly acidic compound (based on its pKa). 1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide can be found in roman camomile, which makes 1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide a potential biomarker for the consumption of this food product. |
| Exact Mass | 280.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 496.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 280.32 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9Z)-2,8-dihydroxy-4,9-dimethyl-14-methylidene-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-13-one |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C15H20O5/c1-7-4-11-13(8(2)14(18)19-11)10(17)6-15(3)12(20-15)5-9(7)16/h4,9-13,16-17H,2,5-6H2,1,3H3/b7-4- |
| Smiles | C/C/1=C/C2C(C(CC3(C(O3)CC1O)C)O)C(=C)C(=O)O2 |
| Xlogp | 0.1 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C15H20O5 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:fooddb_chem_all