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CHEBI:69206 - (8R)-3β,8-dihydroxypolypoda-13E,17E,21-triene

ChEBI IDCHEBI:69206
ChEBI Name(8R)-3β,8-dihydroxypolypoda-13E,17E,21-triene
Stars
ASCII Name(8R)-3beta,8-dihydroxypolypoda-13E,17E,21-triene
DefinitionA triterpenoid that is decahydronaphthalene substituted by methyl groups at positions 1, 1, 4a and 6, hydroxy groups at positions 2 and 6 and a (6E,10E)-2,6,10-trimethyltrideca-2,6,10-trien-13-yl group at position 5. Isolated from resinous exudate of Pistacia lentiscus and Commiphora mukul, it exhibits cytotoxicity towards prostrate cancers.
Last Modified27 May 2015
DownloadsMolfile
FormulaC30H52O2
Net Charge0
Average Mass444.744
Monoisotopic Mass444.39673
SMILES[H][C@@]12CC[C@@](C)(O)[C@H](CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H52O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-26-29(7)20-19-27(31)28(5,6)25(29)18-21-30(26,8)32/h12,14,16,25-27,31-32H,9-11,13,15,17-21H2,1-8H3/b23-14+,24-16+/t25-,26+,27-,29-,30+/m0/s1
InChIKeyQGERZRKJXVVRQA-NJACTVBXSA-N
Species of MetaboliteComponentSourceComments
Commiphora mukul (IPNI:127738-1) latex (BTO:0000710) PubMed (21800858) Previous component: resin; Guggulu(gum resin) of Commiphora mukul
Pistacia lentiscus (ncbitaxon:371726) latex (BTO:0000710) PubMed (21800858) Previous component: resin; Oleogum resin of Pistacia lentiscus
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)
(8R)-3β,8-dihydroxypolypoda-13E,17E,21-triene (CHEBI:69206) has role plant metabolite (CHEBI:76924)
(8R)-3β,8-dihydroxypolypoda-13E,17E,21-triene (CHEBI:69206) is a carbobicyclic compound (CHEBI:36785)
(8R)-3β,8-dihydroxypolypoda-13E,17E,21-triene (CHEBI:69206) is a diol (CHEBI:23824)
(8R)-3β,8-dihydroxypolypoda-13E,17E,21-triene (CHEBI:69206) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,4aS,5R,6R,8aR)-1,1,4a,6-tetramethyl-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]decahydronaphthalene-2,6-diol
Synonym  Source
(2S,6R)-1,1,4a,6-tetramethyl-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]decalin-2,6-diolChEBI
Registry NumbersSources
Reaxys:6232172Reaxys
Citations