Dictagymnin
PubChem CID: 85845705
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| Compound Synonyms | Dictagymnin, 1-Allyl-4-prenyloxybenzene, CHEBI:173563, DTXSID201203817, 1-(3-methylbut-2-enoxy)-4-prop-2-enylbenzene, 1-[(3-Methyl-2-butenyl)oxy]-4-(2-propenyl)benzene, 9CI, 1-[(3-Methyl-2-buten-1-yl)oxy]-4-(2-propen-1-yl)benzene, 56045-79-5 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | Isolated from star anise oil. Dictagymnin is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3-methylbut-2-enoxy)-4-prop-2-enylbenzene |
| Prediction Hob | 1.0 |
| Class | Phenol ethers |
| Xlogp | 4.5 |
| Superclass | Benzenoids |
| Molecular Formula | C14H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UCSGFTQHJDOIND-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.837 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.86 |
| Synonyms | 1-[(3-Methyl-2-butenyl)oxy]-4-(2-propenyl)benzene, 9CI, 1-Allyl-4-prenyloxybenzene, Dictagymnin, 1-[(3-Methyl-2-butenyl)oxy]-4-(2-propenyl)benzene, 9ci |
| Compound Name | Dictagymnin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 202.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.8700413999999994 |
| Inchi | InChI=1S/C14H18O/c1-4-5-13-6-8-14(9-7-13)15-11-10-12(2)3/h4,6-10H,1,5,11H2,2-3H3 |
| Smiles | CC(=CCOC1=CC=C(C=C1)CC=C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenol ethers |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all