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baruol
A tetracyclic triterpenoid that is chrysene which has been fully hydrogenated except for a double bond between the 12 and 12a positions and which is substituted by methyl groups at positions 1, 1, 4b, 6a, 8 and 10a positions, and by a 4-methylpent-3-en-1-yl group at position 8 (the 2S,4aS,4bR,6aS,8R,10aR,10bS-diastereoisomer). It has been isolated from the root bark of the Panamanian tree Maytenus blepharodes.


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04. Bioactive Capabilities of Specific Chemicals : Isomerases [EC:5] > Intramolecular transferases (mutases) [EC:5.4]
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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > metabolite [CHEBI:25212]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 baruol [CHEBI:63712] (1)
04. Bioactive Capabilities of Specific Chemicals  
04. Bioactive Capabilities of Specific Chemicals
 Isomerases [EC:5] (351) 
 Intramolecular transferases (mutases) [EC:5.4] (104) 
 Transferring Other Groups [EC:5.4.99] (56) 
 Baruol synthase [EC:5.4.99.57] (2) 
 baruol [CHEBI:63712] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 hydrogen molecular entity [CHEBI:33608] (6932) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 alcohol [CHEBI:30879] (1371) 
 secondary alcohol [CHEBI:35681] (342) 
 baruol [CHEBI:63712] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 alcohol [CHEBI:30879] (1371) 
 secondary alcohol [CHEBI:35681] (342) 
 baruol [CHEBI:63712] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 triterpenoid [CHEBI:36615] (228) 
 tetracyclic triterpenoid [CHEBI:26893] (37) 
 baruol [CHEBI:63712] (1)
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 triterpenoid [CHEBI:36615] (228) 
 tetracyclic triterpenoid [CHEBI:26893] (37) 
 baruol [CHEBI:63712] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 alcohol [CHEBI:30879] (1371) 
 secondary alcohol [CHEBI:35681] (342) 
 baruol [CHEBI:63712] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 tetracyclic triterpenoid [CHEBI:26893] (37) 
 baruol [CHEBI:63712] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 polycyclic compound [CHEBI:33635] (4078) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 tetracyclic triterpenoid [CHEBI:26893] (37) 
 baruol [CHEBI:63712] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 tetracyclic triterpenoid [CHEBI:26893] (37) 
 baruol [CHEBI:63712] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 tetracyclic triterpenoid [CHEBI:26893] (37) 
 baruol [CHEBI:63712] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 alcohol [CHEBI:30879] (1371) 
 secondary alcohol [CHEBI:35681] (342) 
 baruol [CHEBI:63712] (1)
ChEBI Compound Accession Identifier  [CHEBI:63712]
ChEBI Compound Description  A tetracyclic triterpenoid that is chrysene which has been fully hydrogenated except for a double bond between the 12 and 12a positions and which is substituted by methyl groups at positions 1, 1, 4b, 6a, 8 and 10a positions, and by a 4-methylpent-3-en-1-yl group at position 8 (the 2S,4aS,4bR,6aS,8R,10aR,10bS-diastereoisomer). It has been isolated from the root bark of the Panamanian tree Maytenus blepharodes.
ChEBI Compound Identification Number  63712
ChEBI InChI Value  InChI=1S/C30H50O/c1-21(2)10-9-15-27(5)16-19-30(8)24-13-11-22-23(12-14-25(31)26(22,3)4)29(24,7)18-17-28(30,6)20-27/h10-11,23-25,31H,9,12-20H2,1-8H3/t23-,24+,25+,27-,28+,29+,30-/m1/s1
ChEBI InChIKey Value  XJJAVFWIAXATMT-KNUFMLCHSA-N
ChEBI Compound Name  baruol
ChEBI SMILES Value  [H][C@@]12CC[C@H](O)C(C)(C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2(C)C[C@](C)(CCC=C(C)C)CC[C@]12C
ChEBI Substance ID  135611098
ChEBI URL  ChEBI:63712
ChemSpider ID  26606393
Ontomatica Chemical Accession Key (OnChAKey)  XJJAVFWIAXATMT_KNUFMLCHSA_N_000_000000
PubChem Compound ID  25203718