Juvocimene 1
PubChem CID: 131752881
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| Compound Synonyms | 1-Methoxy-4-[6-methyl-4-(2-methyl-1-propenyl)-1,5,7-octatrienyl]benzene, 9CI, 1-Methoxy-4-(6-methyl-4-(2-methyl-1-propenyl)-1,5,7-octatrienyl)benzene, 9ci |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Description | Constituent of the oil of Ocimum basilicum (sweet basil). Juvocimene 1 is found in sweet basil and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 6.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Molecular Formula | C20H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FNNVIJKTAGXPFS-DMMNKWGDSA-N |
| Fcsp3 | 0.3 |
| Rotatable Bond Count | 7.0 |
| Synonyms | 1-Methoxy-4-[6-methyl-4-(2-methyl-1-propenyl)-1,5,7-octatrienyl]benzene, 9CI, 1-Methoxy-4-[6-methyl-4-(2-methyl-1-propenyl)-1,5,7-octatrienyl]benzene, 9ci |
| Compound Name | Juvocimene 1 |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 282.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -5.517375971428572 |
| Inchi | InChI=1S/C20H26O/c1-6-17(4)15-19(14-16(2)3)9-7-8-18-10-12-20(21-5)13-11-18/h6-8,10-15,19H,1,9H2,2-5H3/b8-7-,17-15- |
| Smiles | CC(=CC(C/C=C\C1=CC=C(C=C1)OC)/C=C(/C)\C=C)C |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Aromatic monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all