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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:3-O-trans-p-coumaroyl actinidic acid
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Accession:CHEBI:65661 term browser browse the term
Definition:A pentacyclic triterpenoid that is the cinnamate ester obtained by the formal condensation of the carboxy group of trans-4-coumaric acid with the hydroxy group at position 3 of actinidic acid (the 2alpha,3beta stereoisomer). It is isolated from the roots of Actinidia arguta and exhibits inhibitory activity towards pancreatic lipase.
Synonyms:exact_synonym: (2alpha,3beta)-2,23-dihydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ursa-12,20(30)-dien-28-oic acid
 related_synonym: 3beta-(trans-p-coumaroyl)oxy-2alpha,23-dihydroxyurs-12(13),20(30)-dien-28-oic acid;   Formula=C39H52O7;   InChI=1S/C39H52O7/c1-23-15-18-39(34(44)45)20-19-37(5)27(32(39)24(23)2)12-13-30-35(3)21-28(42)33(36(4,22-40)29(35)16-17-38(30,37)6)46-31(43)14-9-25-7-10-26(41)11-8-25/h7-12,14,24,28-30,32-33,40-42H,1,13,15-22H2,2-6H3,(H,44,45)/b14-9+/t24-,28+,29+,30+,32-,33-,35-,36-,37+,38+,39-/m0/s1;   InChIKey=IFPMSAOPSQVFLA-VYXVHPRESA-N;   SMILES=[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)\\C=C\\c1ccc(O)cc1)[C@@]2(C)CO
 xref: PMID:18481026



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  CHEBI ontology 19899
    role 19870
      biological role 19868
        biochemical role 19579
          metabolite 19566
            3-O-trans-p-coumaroyl actinidic acid 0
Path 2
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  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19537
                              organochalcogen compound 19297
                                organooxygen compound 19215
                                  carbon oxoacid 18693
                                    carboxylic acid 18690
                                      monocarboxylic acid 18028
                                        alpha,beta-unsaturated monocarboxylic acid 13477
                                          cinnamic acids 2551
                                            hydroxycinnamic acid 1410
                                              monohydroxycinnamic acid 1062
                                                coumaric acid 42
                                                  4-coumaric acid 42
                                                    trans-4-coumaric acid 0
                                                      3-O-trans-p-coumaroyl actinidic acid 0
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