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CHEBI:138303 - α-onocerin
| Formula | C30H50O2 |
| Net Charge | 0 |
| Average Mass | 442.728 |
| Monoisotopic Mass | 442.38108 |
| SMILES | [H][C@@]12CCC(=C)[C@H](CC[C@H]3C(=C)CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]34C)[C@@]1(C)CC[C@H](O)C2(C)C |
| InChI | InChI=1S/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3/t21-,22-,23-,24-,25-,26-,29+,30+/m0/s1 |
| InChIKey | GESZMTVZGWZBPW-IHIDZKKCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lycopodium clavatum (ncbitaxon:3252) | - | PubMed (12677532) | |
| Diphasiastrum complanatum (ncbitaxon:34168) | - | PubMed (17850835) | |
| Dendrolycopodium obscurum (ncbitaxon:62333) | whole plant (BTO:0001461) | PubMed (20055158) | |
| Palhinhaea cernua (ncbitaxon:73621) | - | PubMed (16872152) | |
| Ononis cristata (ncbitaxon:797998) | root (BTO:0001188) | Article (Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263) | |
| Ononis pubescens (ncbitaxon:798025) | root (BTO:0001188) | Article (Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263) | |
| Ononis viscosa (ncbitaxon:798056) | aerial part (BTO:0001658) | Article (Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263) | |
| Ononis minutissima (ncbitaxon:798013) | root (BTO:0001188) | Article (Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263) | |
| Ononis arvensis (ncbitaxon:200952) | root (BTO:0001188) | Article (Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263) | |
| Ononis spinosa (ncbitaxon:58890) | root (BTO:0001188) | Article (Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263) | |
| Ononis repens (ncbitaxon:264192) | root (BTO:0001188) | Article (Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263) | |
| Ononis mitissima (ncbitaxon:361878) | root (BTO:0001188) | Article (Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263) | |
| Ononis alopecuroides (ncbitaxon:797985) | root (BTO:0001188) | Article (Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263) |
| Roles Classification |
|---|
| Biological Role: | 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) |
| α-onocerin (CHEBI:138303) has role plant metabolite (CHEBI:76924) |
| α-onocerin (CHEBI:138303) is a diol (CHEBI:23824) |
| α-onocerin (CHEBI:138303) is a olefinic compound (CHEBI:78840) |
| α-onocerin (CHEBI:138303) is a secondary alcohol (CHEBI:35681) |
| α-onocerin (CHEBI:138303) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S,4aR,5S,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-6-methylenedecahydronaphthalen-2-ol |
| Synonyms | Source |
|---|---|
| 8,14-secogammacera-8(26),14(27)-diene-3β,21α-diol | SUBMITTER |
| (3β,21α)-8,14-secogammacera-8(26),14(27)-diene-3,21-diol | ChemIDplus |
| (+)-α-onocerin | ChEBI |
| UniProt Name | Source |
|---|---|
| α-onocerin | UniProt |
| Citations |
|---|