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CHEBI:142277 - yucalexin P8

ChEBI IDCHEBI:142277
ChEBI Nameyucalexin P8
Stars
DefinitionAn 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.
Last Modified8 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILES[H][C@]12CC[C@@]34O[C@@H]3[C@@](C)(C=C)C(=O)C=C4[C@]1(C)CC(=O)[C@@H](O)C2(C)C
InChIInChI=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
InChIKeyOYQREFBZDOJEAT-WKSFTGSUSA-N
Species of MetaboliteComponentSourceComments
Manihot esculenta (ncbitaxon:3983) root (BTO:0001188) Article (Sakai, T. and Nakagawa, Y. (1988) Diterpenic stress metabolites from Cassava roots. Phytochemistry, 27(12), 3769-3779.)
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)
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  Source
ent-8α,14α-epoxy-3β-hydroxypimara-9(11),15-diene-2,12-dioneChEBI
yucalexin P-8ChEBI
Manual XrefsDatabases
35014235ChemSpider
HMDB0036755HMDB
FDB015693FooDB
Registry NumbersSources
Reaxys:6771707Reaxys