(3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
PubChem CID: 10448019
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| Compound Synonyms | Obtusilactone A, (3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one, 56522-15-7, Borbonol |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Isolated from Persea borbonia (red bay) and other Persea subspecies Isoobtusilactone A is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one |
| Prediction Hob | 0.0 |
| Class | Tetrahydrofurans |
| Xlogp | 6.7 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C19H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FCLYKYQBTSMTJB-ICFOKQHNSA-N |
| Fcsp3 | 0.7368421052631579 |
| Logs | -3.559 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.899 |
| Synonyms | Borbonol 2, Isoobtusilactone A, Borbonol |
| Compound Name | (3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 308.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -5.200364400000001 |
| Inchi | InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15- |
| Smiles | CCCCCCCCCCCCC/C=C\1/C(C(=C)OC1=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Tetrahydrofurans |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients