Desacetyllaurenobiolide
PubChem CID: 131752050
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| Compound Synonyms | Desacetyllaurenobiolide, Chamissellin, CHEBI:192161, (5Z,9Z)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]uran-2-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Description | Constituent of Artemisia subspecies Desacetyllaurenobiolide is found in sweet bay and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,9Z)-4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 1.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Terpene lactones |
| Molecular Formula | C15H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FRDLPOYYWWRSPZ-ZVEIMFCASA-N |
| Fcsp3 | 0.5333333333333333 |
| Rotatable Bond Count | 0.0 |
| Synonyms | Chamissellin, Deacetyllaurenobiolide, Desacetyllaurenobiolide |
| Compound Name | Desacetyllaurenobiolide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 248.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -2.5513964 |
| Inchi | InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7-,10-6- |
| Smiles | C/C/1=C/C(C2C(C/C(=C\CC1)/C)OC(=O)C2=C)O |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Germacranolides and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all