EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:89242 - p-mentha-1,3,8-triene
| Formula | C10H14 |
| Net Charge | 0 |
| Average Mass | 134.222 |
| Monoisotopic Mass | 134.10955 |
| SMILES | C=C(C)C1=CC=C(C)CC1 |
| InChI | InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3 |
| InChIKey | XNMPFDIYAMOYRM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| saliva (UBERON:0001836) | PubMed (24421258) | ||
| faeces (UBERON:0001988) | PubMed (19167006) | ||
| Salvia argentea L. (ncbitaxon:49208) | aerial part (BTO:0001658) | PubMed (25880372) | |
| Dracocephalum kotschyi (ncbitaxon:180015) | - | PubMed (26522747) | |
| Chenopodium ambrosioides (ncbitaxon:330163) | - | PubMed (18679750) | |
| Petroselinum crispum (ncbitaxon:4043) | callus (BTO:0001010) | PubMed (10552648) | |
| Curcuma longa (ncbitaxon:136217) | leaf (BTO:0000713) | PubMed (23901173) |
| Roles Classification |
|---|
| Biological Roles: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| p-mentha-1,3,8-triene (CHEBI:89242) has functional parent p-menthane (CHEBI:25826) |
| p-mentha-1,3,8-triene (CHEBI:89242) has role human xenobiotic metabolite (CHEBI:76967) |
| p-mentha-1,3,8-triene (CHEBI:89242) has role plant metabolite (CHEBI:76924) |
| p-mentha-1,3,8-triene (CHEBI:89242) has role volatile oil component (CHEBI:27311) |
| p-mentha-1,3,8-triene (CHEBI:89242) is a cyclohexadiene (CHEBI:37613) |
| p-mentha-1,3,8-triene (CHEBI:89242) is a monoterpene (CHEBI:35187) |
| IUPAC Name |
|---|
| 1-methyl-4-(prop-1-en-2-yl)cyclohexa-1,3-diene |
| Synonyms | Source |
|---|---|
| 1,3,8-Para-Menthatriene | HMDB |
| 1-Isopropenyl-4-methyl-1,3-cyclohexadiene | HMDB |
| 1,3,8-Menthatriene | HMDB |
| 2-Methyl-5-(1-methylethenyl)-1,3-Cyclohexadiene | HMDB |
| p-1,3,8-Menthatriene | HMDB |
| 1-Methyl-4-(1-methylethenyl)-1,3-cyclohexadiene | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0037013 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1853329 | Reaxys |
| CAS:18368-95-1 | KNApSAcK |
| CAS:18368-95-1 | ChemIDplus |
| CAS:18368-95-1 | NIST Chemistry WebBook |
| Citations |
|---|