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CHEBI:192811 - bicyclosesquiphellandrene
| Formula | C15H24 |
| Net Charge | 0 |
| Average Mass | 204.357 |
| Monoisotopic Mass | 204.18780 |
| SMILES | [H][C@]12CCC(=C)C=C1[C@H](C(C)C)CC[C@H]2C |
| InChI | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12-14H,3,5-8H2,1-2,4H3/t12-,13+,14-/m1/s1 |
| InChIKey | RNDFUOKDULDZPR-HZSPNIEDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Citrus depressa (ncbitaxon:697036) | Pooled sample (NCIT:C45910) | PubMed (29389564) | Isolated from pulp essential oil.. |
| Helichrysum gymnocephalum (ncbitaxon:1442664) | leaf (BTO:0000713) | PubMed (21959299) | |
| Lippia alba (ncbitaxon:320345) | - | PubMed (14753676) | |
| Dictyota dichotoma (ncbitaxon:2876) | HAP-1 (BTO:0003618) | PubMed (35566357) | |
| Lipotriche scandens (ncbitaxon:1670799) | leaf (BTO:0000713) | Article (Florence, Affia & Félix, Tonzibo & Muriel, Koffi & Figueredo, Gilles. (2011). Chemical composition of essential oil of Melanthera scandens (Shum. et Thonn) Roberty. World Applied Sciences Journal.) | Species also known as Melanthera scandens. |
| Clinopodium alpinum (ncbitaxon:224743) | aerial part (BTO:0001658) | DOI (10.1080/10412905.1999.9701064) | Species also known as Acinos alpinus. |
| Piper cubeba (ncbitaxon:405322) | - | DOI (10.1016/0031-9422(74)80097-X) |
| Roles Classification |
|---|
| Biological Roles: | algal metabolite Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bicyclosesquiphellandrene (CHEBI:192811) has role algal metabolite (CHEBI:84735) |
| bicyclosesquiphellandrene (CHEBI:192811) has role plant metabolite (CHEBI:76924) |
| bicyclosesquiphellandrene (CHEBI:192811) has role volatile oil component (CHEBI:27311) |
| bicyclosesquiphellandrene (CHEBI:192811) is a octahydronaphthalenes (CHEBI:138397) |
| bicyclosesquiphellandrene (CHEBI:192811) is a sesquiterpene (CHEBI:35189) |
| IUPAC Name |
|---|
| (1S,4R,4aR)-4-methyl-7-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene |
| Synonym | Source |
|---|---|
| (1S,4R,4aR)-1-isopropyl-4-methyl-7-methylene-1,2,3,4,4a,5,6,7-octahydronaphthalene | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C00020136 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| CAS:54324-03-7 | NIST Chemistry WebBook |
| Citations |
|---|