9,10,11-Trihydroxyumbelliprenin
PubChem CID: 157010106
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| Compound Synonyms | 9,10,11-Trihydroxyumbelliprenin |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | PWGFIVDGCMQGCD-CCMQFXHASA-N |
| Rotatable Bond Count | 10.0 |
| Synonyms | 9,10,11-Trihydroxyumbelliprenin, Umbelliprenin, 10',11'-Dihydro, 9'R*,10'S*,11'-trihydroxy |
| Heavy Atom Count | 30.0 |
| Compound Name | 9,10,11-Trihydroxyumbelliprenin |
| Description | 9,10,11-trihydroxyumbelliprenin is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. 9,10,11-trihydroxyumbelliprenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 9,10,11-trihydroxyumbelliprenin can be found in anise, which makes 9,10,11-trihydroxyumbelliprenin a potential biomarker for the consumption of this food product. |
| Exact Mass | 416.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.22 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 663.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 416.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[(2E,6Z)-9,10,11-trihydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]chromen-2-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Inchi | InChI=1S/C24H32O6/c1-16(6-5-7-17(2)14-20(25)23(27)24(3,4)28)12-13-29-19-10-8-18-9-11-22(26)30-21(18)15-19/h7-12,15,20,23,25,27-28H,5-6,13-14H2,1-4H3/b16-12+,17-7- |
| Smiles | C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CC/C=C(/C)\CC(C(C(C)(C)O)O)O |
| Xlogp | 3.8 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C24H32O6 |
- 1. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Source_db:fooddb_chem_all