7-{[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-2H-chromen-2-one
PubChem CID: 1781412
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| Compound Synonyms | 7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one, 7-{[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-2H-chromen-2-one, Umbelliferone farnesyl ether, SCHEMBL26641528 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Description | Isolated from Angelica archangelica (angelica). Umbelliprenin is found in many foods, some of which are coriander, fats and oils, herbs and spices, and green vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 605.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 7.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene lactones |
| Molecular Formula | C24H30O3 |
| Inchi Key | GNMUGVNEWCZUAA-SGRLLCBQSA-N |
| Rotatable Bond Count | 9.0 |
| State | Solid |
| Synonyms | Umbelliferone farnesyl ether |
| Compound Name | 7-{[(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-2H-chromen-2-one |
| Kingdom | Organic compounds |
| Exact Mass | 366.219 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 366.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 366.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C24H30O3/c1-18(2)7-5-8-19(3)9-6-10-20(4)15-16-26-22-13-11-21-12-14-24(25)27-23(21)17-22/h7,9,11-15,17H,5-6,8,10,16H2,1-4H3/b19-9-,20-15+ |
| Smiles | CC(=CCC/C(=C\CC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)/C)C |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Terpene lactones |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all