Germacrone 4,5-epoxide
PubChem CID: 13922652
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| Compound Synonyms | Germacrone 4,5-epoxide, 92691-35-5, (6Z)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-4-one, (+)-Germacrone-4,5-epoxide, CHEBI:191755, AKOS032949123, DA-63745 |
|---|---|
| Topological Polar Surface Area | 29.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Description | Constituent of essential oil of Curcuma zedoaria (zedoary). Germacrone 4,5-epoxide is found in turmeric. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 399.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z)-6,10-dimethyl-3-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-4-one |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 2.8 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H22O2 |
| Inchi Key | DWGVRYKQVZGSIB-WDZFZDKYSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | (+)-Germacrone-4,5-epoxide, (4S,5S)-(+)-Germacrone 4,5-epoxide, Germacrone 4,5-epoxide, Cycloartenol ferulic acid ester, 7,7,12,16-Tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid, FRACYE, Ferulic acid cycloartenol ester |
| Compound Name | Germacrone 4,5-epoxide |
| Kingdom | Organic compounds |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C15H22O2/c1-10(2)12-9-14-15(4,17-14)7-5-6-11(3)8-13(12)16/h6,14H,5,7-9H2,1-4H3/b11-6- |
| Smiles | C/C/1=C/CCC2(C(O2)CC(=C(C)C)C(=O)C1)C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Germacrane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:fooddb_chem_all