Juvocimene 2
PubChem CID: 131752882
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| Compound Synonyms | Juvocimene 2, CHEBI:174845, 3-[(1Z,5Z)-1-(4-methoxyphenyl)-6-methylocta-1,5,7-trien-4-yl]-2,2-dimethyloxirane |
|---|---|
| Topological Polar Surface Area | 21.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of the oil of Ocimum basilicum (sweet basil). Juvocimene 2 is found in sweet basil and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(1Z,5Z)-1-(4-methoxyphenyl)-6-methylocta-1,5,7-trien-4-yl]-2,2-dimethyloxirane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Is Pains | False |
| Molecular Formula | C20H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JVHUDTINIJAQHA-XWUSKMMESA-N |
| Fcsp3 | 0.4 |
| Rotatable Bond Count | 7.0 |
| Synonyms | Juvocimene 2 |
| Compound Name | Juvocimene 2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.193 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 298.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.7501593818181815 |
| Inchi | InChI=1S/C20H26O2/c1-6-15(2)14-17(19-20(3,4)22-19)9-7-8-16-10-12-18(21-5)13-11-16/h6-8,10-14,17,19H,1,9H2,2-5H3/b8-7-,15-14- |
| Smiles | C/C(=C/C(C/C=C\C1=CC=C(C=C1)OC)C2C(O2)(C)C)/C=C |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all