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ONTOLOGY REPORT - ANNOTATIONS


Term:aconitine
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Accession:CHEBI:2430 term browser browse the term
Definition:A diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively.
Synonyms:exact_synonym: 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diyl 8-acetate 14-benzoate
 related_synonym: 16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate;   Formula=C34H47NO11;   InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1;   InChIKey=XFSBVAOIAHNAPC-XTHSEXKGSA-N;   SMILES=[H][C@]12C[C@]3(O)[C@@H](OC)[C@H](O)[C@](OC(C)=O)([C@@]4([H])[C@H](OC)[C@]5([H])[C@]6(COC)CN(CC)C4[C@]15[C@H](C[C@H]6O)OC)[C@@]2([H])[C@H]3OC(=O)c1ccccc1
 xref: CAS:302-27-2;   KEGG:C06091;   KNApSAcK:C00001611
 xref_mesh: MESH:D000157
 xref: PMID:12951473;   PMID:14979521;   PMID:16293382;   PMID:16315485;   PMID:16949890;   PMID:17276394;   PMID:17327465;   PMID:18329015;   PMID:18448863;   PMID:19967988;   PMID:20717872;   PMID:20886302;   PMID:20937638;   PMID:20953393;   PMID:21277363;   PMID:21377951;   PMID:21505405;   PMID:21512442;   PMID:21782880;   PMID:9459571;   Reaxys:74608


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aconitine term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcb1a ATP binding cassette subfamily B member 1A JBrowse link 4 22,339,829 22,517,642 RGD:6480464
G Bax BCL2 associated X, apoptosis regulator JBrowse link 1 101,451,801 101,457,207 RGD:6480464
G Bcl2 BCL2, apoptosis regulator JBrowse link 13 26,605,426 26,769,374 RGD:6480464
G Casp3 caspase 3 JBrowse link 16 48,845,011 48,863,249 RGD:6480464
G Casp9 caspase 9 JBrowse link 5 160,356,211 160,373,774 RGD:6480464
G Cyp17a1 cytochrome P450, family 17, subfamily a, polypeptide 1 JBrowse link 1 266,422,127 266,429,947 RGD:6480464
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 JBrowse link 8 62,451,360 62,458,244 RGD:6480464
G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 JBrowse link 1 147,713,879 147,814,410 RGD:6480464
G Cyp2c79 cytochrome P450, family 2, subfamily c, polypeptide 79 JBrowse link 1 147,236,480 147,307,988 RGD:6480464
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 JBrowse link 7 123,599,264 123,608,436 RGD:6480464
G Cyp3a9 cytochrome P450, family 3, subfamily a, polypeptide 9 JBrowse link 12 19,074,288 19,114,491 RGD:6480464
G Hsd17b3 hydroxysteroid (17-beta) dehydrogenase 3 JBrowse link 17 1,579,319 1,610,745 RGD:6480464
G Hsd3b1 hydroxy-delta-5-steroid dehydrogenase, 3 beta- and steroid delta-isomerase 1 RGD:6480464
G Mapk1 mitogen activated protein kinase 1 JBrowse link 11 88,203,863 88,273,301 RGD:6480464
G Mapk3 mitogen activated protein kinase 3 JBrowse link 1 198,192,773 198,198,975 RGD:6480464
G Raf1 Raf-1 proto-oncogene, serine/threonine kinase JBrowse link 4 147,532,040 147,592,769 RGD:6480464
G Rb1 RB transcriptional corepressor 1 JBrowse link 15 55,081,582 55,209,060 RGD:6480464
G Rps6kb1 ribosomal protein S6 kinase B1 JBrowse link 10 73,824,200 73,865,503 RGD:6480464
G S100b S100 calcium binding protein B JBrowse link 20 13,130,633 13,142,856 RGD:6480464
G Scarb1 scavenger receptor class B, member 1 JBrowse link 12 36,694,952 36,761,445 RGD:6480464
G Slc22a2 solute carrier family 22 member 2 JBrowse link 1 48,318,025 48,360,219 RGD:6480464
G Tp53 tumor protein p53 JBrowse link 10 56,186,299 56,198,449 RGD:6480464
G Trpa1 transient receptor potential cation channel, subfamily A, member 1 JBrowse link 5 3,783,247 3,836,485 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19779
    chemical entity 19778
      atom 19777
        nonmetal atom 19651
          carbon atom 19548
            organic molecular entity 19548
              isoprenoid 9512
                terpenoid 9507
                  diterpenoid 8330
                    aconitine 24
                      aconifine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19779
    subatomic particle 19777
      composite particle 19777
        hadron 19777
          baryon 19777
            nucleon 19777
              atomic nucleus 19777
                atom 19777
                  main group element atom 19664
                    main group molecular entity 19664
                      s-block molecular entity 19406
                        hydrogen molecular entity 19397
                          hydrides 18386
                            organic hydride 17747
                              organic fundamental parent 17747
                                hydrocarbon 17257
                                  terpene 9512
                                    terpenoid 9507
                                      diterpenoid 8330
                                        diterpene alkaloid 62
                                          aconitane 62
                                            aconitine 24
                                              aconifine 0
paths to the root

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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.