CHEBI:138303 - α-onocerin

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ChEBI Name α-onocerin
ChEBI ID CHEBI:138303
ChEBI ASCII Name alpha-onocerin
Definition A triterpenoid that is ethane in which each carbon has been substituted by a (1R,4aR,6S,8aS)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C30H50O2
Net Charge 0
Average Mass 442.718
Monoisotopic Mass 442.38108
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
SMILES C1C[C@@H](C([C@]2([C@]1([C@H](C(CC2)=C)CC[C@H]3C(CC[C@@]4([C@@]3(CC[C@@H](C4(C)C)O)C)[H])=C)C)[H])(C)C)O
Metabolite of Species Details
Ononis arvensis (NCBI:txid200952) Found in root (BTO:0001188). See: Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263
Ononis repens (NCBI:txid264192) Found in root (BTO:0001188). See: Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263
Lycopodium clavatum (NCBI:txid3252) See: PubMed
Diphasiastrum complanatum (NCBI:txid34168) See: PubMed
Ononis mitissima (NCBI:txid361878) Found in root (BTO:0001188). See: Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263
Ononis sp.nosa (NCBI:txid58890) Found in root (BTO:0001188). See: Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263
Dendrolycopodium obscurum (NCBI:txid62333) Found in whole plant (BTO:0001461). See: PubMed
Palhinhaea cernua (NCBI:txid73621) See: PubMed
Ononis alopecuroides (NCBI:txid797985) Found in root (BTO:0001188). See: Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263
Ononis cristata (NCBI:txid797998) Found in root (BTO:0001188). See: Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263
Ononis minutissima (NCBI:txid798013) Found in root (BTO:0001188). See: Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263
Ononis pubescens (NCBI:txid798025) Found in root (BTO:0001188). See: Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263
Ononis viscosa (NCBI:txid798056) Found in aerial part (BTO:0001658). See: Rowan, M.G. and Dean, P.G.D., Phytochemistry, 1972, 11, 3263
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(+)-α-onocerin ChEBI
(3β,21α)-8,14-secogammacera-8(26),14(27)-diene-3,21-diol ChemIDplus
8,14-secogammacera-8(26),14(27)-diene-3β,21α-diol SUBMITTER
α-onocerin UniProt
Manual Xrefs Databases
C00033631 KNApSAcK
CPD-20475 MetaCyc
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Registry Numbers Types Sources
2631686 Reaxys Registry Number Reaxys
511-01-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10821066 PubMed citation Europe PMC
11118995 PubMed citation Europe PMC
11945584 PubMed citation Europe PMC
12236742 PubMed citation Europe PMC
12677532 PubMed citation Europe PMC
14011217 PubMed citation Europe PMC
16320206 PubMed citation Europe PMC
16872152 PubMed citation Europe PMC
20055158 PubMed citation Europe PMC
26663356 PubMed citation SUBMITTER
Last Modified
19 September 2017