EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:59958 - (3S,6E)-nerolidol
| Formula | C15H26O |
| Net Charge | 0 |
| Average Mass | 222.372 |
| Monoisotopic Mass | 222.19837 |
| SMILES | C=C[C@@](C)(O)CC/C=C(\C)CCC=C(C)C |
| InChI | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m1/s1 |
| InChIKey | FQTLCLSUCSAZDY-ATGUSINASA-N |
| Roles Classification |
|---|
| Chemical Roles: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Biological Roles: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. pheromone A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour. insect attractant A chemical that attracts insects. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. cosmetic The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it. herbicide A substance used to destroy plant pests. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S,6E)-nerolidol (CHEBI:59958) is a (6E)-nerolidol (CHEBI:141283) |
| (3S,6E)-nerolidol (CHEBI:59958) is enantiomer of (3R,6E)-nerolidol (CHEBI:59959) |
| Incoming Relation(s) |
| (3R,6E)-nerolidol (CHEBI:59959) is enantiomer of (3S,6E)-nerolidol (CHEBI:59958) |
| IUPAC Name |
|---|
| (3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
| Synonyms | Source |
|---|---|
| (3S,6E)-Nerolidol | KEGG COMPOUND |
| (S-(E))-3,7,11-trimethyldodeca-1,6,10-trien-3-ol | ChemIDplus |
| UniProt Name | Source |
|---|---|
| (3S,6E)-nerolidol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 4444858 | ChemSpider |
| C09704 | KEGG COMPOUND |
| LMPR0103010005 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Beilstein:5248349 | Beilstein |
| CAS:1119-38-6 | ChemIDplus |
| Citations |
|---|