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CHEBI:70576 - (+)-pisiferic acid

ChEBI IDCHEBI:70576
ChEBI Name(+)-pisiferic acid
Stars
DefinitionAn abietane diterpenoid that is abieta-8,11,13-trien-20-oic acid substituted by a hydroxy group at position 12. It has been isolated from the stem bark of Fraxinus sieboldiana.
Last Modified16 February 2021
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]1(C(=O)O)CCCC2(C)C
InChIInChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,4)8-5-9-20(17,18(22)23)15(13)11-16(14)21/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,20-/m0/s1
InChIKeyATHWSPHADLLZSS-PXNSSMCTSA-N
Species of MetaboliteComponentSourceComments
Fraxinus sieboldiana (ncbitaxon:490850) stem (BTO:0001300) PubMed (20961093) Previous component: stem bark; EtOAc soluble fraction of 95% ethanolic extract of air-dried stem bark
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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)
(+)-pisiferic acid (CHEBI:70576) has role antibacterial agent (CHEBI:33282)
(+)-pisiferic acid (CHEBI:70576) has role plant metabolite (CHEBI:76924)
(+)-pisiferic acid (CHEBI:70576) is a abietane diterpenoid (CHEBI:36762)
(+)-pisiferic acid (CHEBI:70576) is a monocarboxylic acid (CHEBI:25384)
(+)-pisiferic acid (CHEBI:70576) is a phenols (CHEBI:33853)
(+)-pisiferic acid (CHEBI:70576) is a tricyclic diterpenoid (CHEBI:79084)
(+)-pisiferic acid (CHEBI:70576) is conjugate acid of (+)-pisiferate (CHEBI:167487)
Incoming Relation(s)
(+)-pisiferate (CHEBI:167487) is conjugate base of (+)-pisiferic acid (CHEBI:70576)
IUPAC Name 
12-hydroxyabieta-8,11,13-trien-20-oic acid
Synonym  Source
pisiferic acidChemIDplus
Manual XrefsDatabases
C00003470KNApSAcK
C09163KEGG COMPOUND
Registry NumbersSources
Reaxys:6893431Reaxys
CAS:67494-15-9ChemIDplus
CAS:67494-15-9KEGG COMPOUND
Citations