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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:madecassic acid
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Accession:CHEBI:73058 term browser browse the term
Definition:A pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3, 6 and 23 (the 2alpha,3beta,6beta stereoisomer).
Synonyms:exact_synonym: (2alpha,3beta,6beta)-2,3,6,23-tetrahydroxyurs-12-en-28-oic acid
 related_synonym: 6beta-hydroxyasiatic acid;   Formula=C30H48O6;   InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1;   InChIKey=PRAUVHZJPXOEIF-AOLYGAPISA-N;   SMILES=[H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]21C)C(O)=O;   brahmic acid
 xref: CAS:18449-41-7;   HMDB:HMDB0036670;   PMID:22816768;   PMID:22966846;   PMID:23346217;   Patent:CN101991578;   Patent:FR2963553;   Patent:TW200938215;   Reaxys:3041357


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madecassoside term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 decreases activity ISO madecassoside results in decreased activity of CYP2C19 protein CTD PMID:21349323 NCBI chr 1:147,713,879...147,814,410
Ensembl chr 1:147,713,892...147,888,007
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      chemical role 19250
        antioxidant 14211
          madecassic acid 1
            madecassoside 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        monocarboxylic acid 17407
                                          madecassic acid 1
                                            madecassoside 1
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