(3Z)-3-(2-{5,5,8a-trimethyl-octahydro-1H-spiro[naphthalene-2,2'-oxirane]-1-yl}ethylidene)oxolan-2-one
PubChem CID: 57457805
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| Compound Synonyms | SCHEMBL1044256, (3Z)-3-(2-{5,5,8a-trimethyl-octahydro-1H-spiro[naphthalene-2,2'-oxirane]-1-yl}ethylidene)oxolan-2-one |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of Alpinia galanga (greater galangal) Galanolactone is a diterpenoid lactone first isolated from ginger. It is known to be present in acetone extracts of ginger, and appears to be an antagonist at 5-HT3 receptors. Galanolactone is found in herbs and spices and ginger. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 549.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z)-3-[2-(5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl)ethylidene]oxolan-2-one |
| Prediction Hob | 1.0 |
| Class | Lactones |
| Xlogp | 4.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Gamma butyrolactones |
| Molecular Formula | C20H30O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MBPTXJNHCBXMBP-RZNTYIFUSA-N |
| Fcsp3 | 0.85 |
| Logs | -5.564 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 4.158 |
| Synonyms | Galanolactone |
| Compound Name | (3Z)-3-(2-{5,5,8a-trimethyl-octahydro-1H-spiro[naphthalene-2,2'-oxirane]-1-yl}ethylidene)oxolan-2-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 318.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 318.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -4.599333400000001 |
| Inchi | InChI=1S/C20H30O3/c1-18(2)9-4-10-19(3)15(18)7-11-20(13-23-20)16(19)6-5-14-8-12-22-17(14)21/h5,15-16H,4,6-13H2,1-3H3/b14-5- |
| Smiles | CC1(CCCC2(C1CCC3(C2C/C=C\4/CCOC4=O)CO3)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Gamma butyrolactones |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all