CHEBI:142277 - yucalexin P8

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ChEBI Name yucalexin P8
ChEBI ID CHEBI:142277
Definition An organic heterotetracyclic compound that is ent-pimara-9(11),15-diene which is substituted by oxo groups at position 2 and 12, by a β-epoxide at the 8,14 position, and by an α-hydroxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C20H26O4
Net Charge 0
Average Mass 330.419
Monoisotopic Mass 330.18311
InChI InChI=1S/C20H26O4/c1-6-18(4)14(22)9-13-19(5)10-11(21)15(23)17(2,3)12(19)7-8-20(13)16(18)24-20/h6,9,12,15-16,23H,1,7-8,10H2,2-5H3/t12-,15-,16-,18+,19-,20+/m1/s1
InChIKey OYQREFBZDOJEAT-WKSFTGSUSA-N
SMILES [C@]123[C@H](O1)[C@](C(C=C2[C@]4([C@](CC3)(C([C@@H](C(C4)=O)O)(C)C)[H])C)=O)(C=C)C
Metabolite of Species Details
Manihot esculenta (NCBI:txid3983) Found in root (BTO:0001188). See: Sakai, T. and Nakagawa, Y. (1988) Diterpenic stress metabolites from Cassava roots. Phytochemistry, 27(12), 3769-3779.
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 yucalexin P8 (CHEBI:142277) has parent hydride ent-pimara-9(11),15-diene (CHEBI:50064)
yucalexin P8 (CHEBI:142277) has role plant metabolite (CHEBI:76924)
yucalexin P8 (CHEBI:142277) is a enone (CHEBI:51689)
yucalexin P8 (CHEBI:142277) is a epoxide (CHEBI:32955)
yucalexin P8 (CHEBI:142277) is a organic heterotetracyclic compound (CHEBI:38163)
yucalexin P8 (CHEBI:142277) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
(3α,5β,10α,13α,14β)-3-hydroxy-8,14-epoxypimara-9(11),15-diene-2,12-dione
Synonyms Sources
ent-8α,14α-epoxy-3β-hydroxypimara-9(11),15-diene-2,12-dione ChEBI
yucalexin P-8 ChEBI
Manual Xrefs Databases
35014235 ChemSpider
FDB015693 FooDB
HMDB0036755 HMDB
View more database links
Registry Number Type Source
6771707 Reaxys Registry Number Reaxys
Last Modified
08 October 2018