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CHEBI:68291 - inumakal

ChEBI IDCHEBI:68291
ChEBI Nameinumakal
Stars
DefinitionAn abietane diterpenoid that is podocarpa-8,11,13-triene substituted by a propan-2-yl group at position 14, a hydroxy group at position 11 and a formyl group at position 16. It is isolated from Podocarpus latifolius.
Last Modified21 August 2013
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILES[H][C@@]12CCc3c(C(C)C)ccc(O)c3[C@@]1(C)CCC[C@]2(C)C=O
InChIInChI=1S/C20H28O2/c1-13(2)14-6-8-16(22)18-15(14)7-9-17-19(3,12-21)10-5-11-20(17,18)4/h6,8,12-13,17,22H,5,7,9-11H2,1-4H3/t17-,19+,20-/m0/s1
InChIKeyRIRYTDSIVDSPCY-SXLOBPIMSA-N
Species of MetaboliteComponentSourceComments
Podocarpus latifolius (ncbitaxon:120620) root (BTO:0001188) PubMed (21306129) Previous component: root bark; CH2Cl2-MeOH(1:1) extract of dried, ground root bark
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
inumakal (CHEBI:68291) has role metabolite (CHEBI:25212)
inumakal (CHEBI:68291) is a abietane diterpenoid (CHEBI:36762)
inumakal (CHEBI:68291) is a aldehyde (CHEBI:17478)
inumakal (CHEBI:68291) is a phenols (CHEBI:33853)
IUPAC Name 
11-hydroxy-14-(propan-2-yl)podocarpa-8,11,13-trien-16-al
Registry NumbersSources
Reaxys:21394581Reaxys
Citations