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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
JBrowse link
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 decreases activity ISO madecassoside results in decreased activity of CYP3A4 protein CTD PMID:21349323 NCBI chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      chemical role 19256
        antioxidant 14273
          madecassic acid 2
            madecassoside 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        monocarboxylic acid 17530
                                          madecassic acid 2
                                            madecassoside 2
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