CHEBI:138305 - (21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol

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ChEBI Name (21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol
ChEBI ID CHEBI:138305
ChEBI ASCII Name (21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3beta-ol
Definition A triterpenoid that is an intermediate in the biosynthesis of α-onocerin by the fern Lycopodium clavatum.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C30H50O2
Net Charge 0
Average Mass 442.718
Monoisotopic Mass 442.38108
InChI InChI=1S/C30H50O2/c1-21(11-9-12-22(2)15-18-27-29(6,7)32-27)13-10-14-24-23(3)16-17-25-28(4,5)26(31)19-20-30(24,25)8/h12-13,24-27,31H,3,9-11,14-20H2,1-2,4-8H3/b21-13+,22-12+/t24-,25-,26-,27-,30+/m0/s1
InChIKey YOXYJGZFQYXPHZ-AEBUGLRVSA-N
SMILES C1C[C@@H](C([C@]2([C@]1([C@H](C(CC2)=C)CC/C=C(/CC/C=C(/CC[C@H]3C(O3)(C)C)\C)\C)C)[H])(C)C)O
Metabolite of Species Details
Lycopodium clavatum (NCBI:txid3252) See: PubMed
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 (21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) has role plant metabolite (CHEBI:76924)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) is a carbobicyclic compound (CHEBI:36785)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) is a epoxide (CHEBI:32955)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) is a olefinic compound (CHEBI:78840)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) is a secondary alcohol (CHEBI:35681)
(21S)-21,22-epoxypolypoda-8(26)-13,17-trien-3β-ol (CHEBI:138305) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2S,4aR,5S,8aR)-5-{(3E,7E)-10-[(2S)-3,3-dimethyloxiran-2-yl]-4,8-dimethyldeca-3,7-dien-1-yl}-1,1,4a-trimethyl-6-methylidenedecahydronaphthalen-2-ol
Synonyms Sources
polypoda-8(26),13,17-trien-21,22-epoxy-3β-ol ChEBI
pre-α-onocerin UniProt
Manual Xref Database
CPD-20474 MetaCyc
View more database links
Registry Number Type Source
29170306 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26663356 PubMed citation SUBMITTER
Last Modified
13 November 2017