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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:acrovestone
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Accession:CHEBI:2440 term browser browse the term
Definition:A polyphenol that is isolated from Acronychia pedunculata and exhibits moderate antioxidant and antityrosinase activities.
Synonyms:exact_synonym: 1-(3-{1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-methylbutyl}-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl)ethan-1-one
 related_synonym: Formula=C32H42O8;   InChI=1S/C32H42O8/c1-15(2)10-12-20-27(35)23(18(7)33)30(38)25(28(20)36)22(14-17(5)6)26-29(37)21(13-11-16(3)4)32(40-9)24(19(8)34)31(26)39/h10-11,17,22,35-39H,12-14H2,1-9H3;   InChIKey=KLFWXYAHGSXKAW-UHFFFAOYSA-N;   SMILES=COc1c(CC=C(C)C)c(O)c(C(CC(C)C)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1C(C)=O
 xref: Beilstein:2611012;   CAS:24177-16-0;   KEGG:C09916;   KNApSAcK:C00002978;   PMID:12880321;   PMID:22708987;   PMID:2506892;   PMID:2614422;   Reaxys:2611012


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Sophoricoside term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cdh1 cadherin 1 decreases expression ISO sophoricoside results in decreased expression of CDH1 CTD PMID:24877640 NCBI chr19:34,492,371...34,561,775
Ensembl chr19:34,492,371...34,561,775 		JBrowse link
G Esr1 estrogen receptor 1 decreases expression ISO sophoricoside results in decreased expression of ESR1 CTD PMID:24877640 NCBI chr 1:41,106,335...41,499,104
Ensembl chr 1:41,210,475...41,495,002 		JBrowse link
G Itgb3 integrin subunit beta 3 decreases expression ISO sophoricoside results in decreased expression of ITGB3 CTD PMID:24877640 NCBI chr10:89,509,917...89,564,679
Ensembl chr10:89,509,989...89,564,679 		JBrowse link
G Mmp2 matrix metallopeptidase 2 decreases expression ISO sophoricoside results in decreased expression of MMP2 CTD PMID:24877640 NCBI chr19:14,154,657...14,182,870
Ensembl chr19:14,154,657...14,182,870 		JBrowse link
G Pgr progesterone receptor increases expression ISO sophoricoside results in increased expression of PGR CTD PMID:24877640 NCBI chr 8:6,073,216...6,131,552
Ensembl chr 8:6,072,673...6,131,344 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      chemical role 19589
        antioxidant 15678
          acrovestone 5
            (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-1-benzopyran-3-yl)phenoxy]-2-oxanecarboxylic acid 0
            2'',4'',6''-Triacetylglycitin 0
            2'',6''-Di-O-acetylononin 0
            2'-Hydroxygenistein 7-(6''-malonylglucoside) 0
            3,4,5-trihydroxy-6-\{1-methoxy-1,3-dioxo-3-[(3,4,5-trihydroxy-6-\{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy\}oxan-2-yl)methoxy]propan-2-yl\}oxane-2-carboxylic acid 0
            3,4,5-trihydroxy-6-\{[3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-7-yl]oxy\}oxane-2-carboxylic acid 0
            3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-5-\{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy\}-4H-chromen-4-one 0
            3-(4-Hydroxyphenyl)-5-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 0
            3-(4-Hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 0
            4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside) 0
            5,7-Dihydroxy-2',6-dimethoxyisoflavone 7-rhamnoside 0
            5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside 0
            5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside 0
            5-hydroxy-3-(4-hydroxyphenyl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one 0
            5-hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside 0
            6-Hydroxydaidzein 4'-glucoside 0
            7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside 0
            7-hydroxy-2',4',5'-trimethoxyisoflavone 7-O-glucoside 0
            Bichanin A 7-O-glucoside-6''-malonate 0
            Caviunin 7-O-glucoside 0
            Cladrastin 7-O-glucoside 0
            Cladrastin 7-O-laminaribioside 0
            Daidzein 7-O-apiosyl-(1->6)-glucoside 0
            Daidzein 7-O-glucuronide 0
            Daidzin 4'-O-glucuronide 0
            Dihydrodaidzein 7-O-glucuronide 0
            Equol 4'-O-glucuronide 0
            Equol 7-O-glucuronide 0
            Formononetin 7-(6''-malonylglucoside) 0
            Formononetin 7-O-(6''-acetylglcoside) 0
            Formononetin 7-O-glucuronide 0
            Genistein 4'-O-glucoside 0
            Genistein 4'-O-glucuronide 0
            Genistein 5-O-glucuronide 0
            Genistein 5-glucoside 0
            Genistein 7-O-(2-p-coumaroylglucoside) 0
            Genistein 7-O-apiosyl-(1->6)-glucoside 0
            Genistein 7-O-glucoside-4'-O-apioside 0
            Genistein 7-O-glucuronide 0
            Glycitein 7-O-glucuronide 0
            Irilone 4'-O-glucoside 0
            Iristectorigenin A 7-O-glucoside 0
            Isoflavone base + 1o, 1meo, o-hex+c7h12no 0
            Isogenistein 7-glucoside 0
            Isomucronulator 7-O-glucoside 0
            Isotectorigenin 4'-glucoside 7-rhamnoside 0
            Lupiwighteone hydrate 7-glucoside 0
            Pseudobaptigenin 7-O-laminaribioside 0
            Retusin 8-O-arabinoside 0
            Rothindin 0
            Sophoricoside 5
            Vestitone 7-glucoside 0
            [6-[3-(4-Hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate 0
            biochanin A 7-glucuronide 0
            daidzein 4'-glucuronide-7-sulfate 0
            daidzein 7-glucuronide-4'-sulfate 0
            daidzein diglucuronide 0
            genistein 4'-glucuronide-7-sulfate 0
            genistein 7-glucuronide-4'-sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      ketone 17115
                                        methyl ketone 769
                                          acetophenones 152
                                            acrovestone 5
                                              (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-1-benzopyran-3-yl)phenoxy]-2-oxanecarboxylic acid 0
                                              2'',4'',6''-Triacetylglycitin 0
                                              2'',6''-Di-O-acetylononin 0
                                              2'-Hydroxygenistein 7-(6''-malonylglucoside) 0
                                              3,4,5-trihydroxy-6-\{1-methoxy-1,3-dioxo-3-[(3,4,5-trihydroxy-6-\{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy\}oxan-2-yl)methoxy]propan-2-yl\}oxane-2-carboxylic acid 0
                                              3,4,5-trihydroxy-6-\{[3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-7-yl]oxy\}oxane-2-carboxylic acid 0
                                              3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-5-\{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy\}-4H-chromen-4-one 0
                                              3-(4-Hydroxyphenyl)-5-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 0
                                              3-(4-Hydroxyphenyl)-7-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 0
                                              4'-O-Methylneobavaisoflavone 7-O-(2''-p-coumaroylglucoside) 0
                                              5,7-Dihydroxy-2',6-dimethoxyisoflavone 7-rhamnoside 0
                                              5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside 0
                                              5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside 0
                                              5-hydroxy-3-(4-hydroxyphenyl)-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one 0
                                              5-hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-O-neohesperidoside 0
                                              6-Hydroxydaidzein 4'-glucoside 0
                                              7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside 0
                                              7-hydroxy-2',4',5'-trimethoxyisoflavone 7-O-glucoside 0
                                              Bichanin A 7-O-glucoside-6''-malonate 0
                                              Caviunin 7-O-glucoside 0
                                              Cladrastin 7-O-glucoside 0
                                              Cladrastin 7-O-laminaribioside 0
                                              Daidzein 7-O-apiosyl-(1->6)-glucoside 0
                                              Daidzein 7-O-glucuronide 0
                                              Daidzin 4'-O-glucuronide 0
                                              Dihydrodaidzein 7-O-glucuronide 0
                                              Equol 4'-O-glucuronide 0
                                              Equol 7-O-glucuronide 0
                                              Formononetin 7-(6''-malonylglucoside) 0
                                              Formononetin 7-O-(6''-acetylglcoside) 0
                                              Formononetin 7-O-glucuronide 0
                                              Genistein 4'-O-glucoside 0
                                              Genistein 4'-O-glucuronide 0
                                              Genistein 5-O-glucuronide 0
                                              Genistein 5-glucoside 0
                                              Genistein 7-O-(2-p-coumaroylglucoside) 0
                                              Genistein 7-O-apiosyl-(1->6)-glucoside 0
                                              Genistein 7-O-glucoside-4'-O-apioside 0
                                              Genistein 7-O-glucuronide 0
                                              Glycitein 7-O-glucuronide 0
                                              Irilone 4'-O-glucoside 0
                                              Iristectorigenin A 7-O-glucoside 0
                                              Isoflavone base + 1o, 1meo, o-hex+c7h12no 0
                                              Isogenistein 7-glucoside 0
                                              Isomucronulator 7-O-glucoside 0
                                              Isotectorigenin 4'-glucoside 7-rhamnoside 0
                                              Lupiwighteone hydrate 7-glucoside 0
                                              Pseudobaptigenin 7-O-laminaribioside 0
                                              Retusin 8-O-arabinoside 0
                                              Rothindin 0
                                              Sophoricoside 5
                                              Vestitone 7-glucoside 0
                                              [6-[3-(4-Hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate 0
                                              biochanin A 7-glucuronide 0
                                              daidzein 4'-glucuronide-7-sulfate 0
                                              daidzein 7-glucuronide-4'-sulfate 0
                                              daidzein diglucuronide 0
                                              genistein 4'-glucuronide-7-sulfate 0
                                              genistein 7-glucuronide-4'-sulfate 0
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