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hederagenin
A sapogenin that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3 and 23 (the 3beta stereoisomer).


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06. Name of Biological Source of Chemical: Plantae > Magnoliophyta > Magnoliopsida > Saxifragales > Paeoniaceae > Paeonia > Paeonia rockii
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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) 
 hederagenin [CHEBI:69579] (1)
06. Name of Biological Source of Chemical 
06. Name of Biological Source of Chemical
 Plantae (1926) 
 Magnoliophyta (1872) 
 Magnoliopsida (1649) 
 Saxifragales (25) 
 Paeoniaceae (25) 
 Paeonia (25) 
 Paeonia rockii (22) 
 Paeonia rockii subspecies rockii (22)
07. Part of Biological Source of Chemical 
07. Part of Biological Source of Chemical
 plant structure [PO:0009011] (1497) 
 multi-tissue plant structure [PO:0025496] (1114) 
 plant organ [PO:0009008] (970) 
 plant axis [PO:0025004] (691) 
 root [PO:0009005] (486)
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) 
 oxoacid [CHEBI:24833] (3119) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 hydroxides [CHEBI:24651] (5641) 
 oxoacid [CHEBI:24833] (3119) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 organooxygen compound [CHEBI:36963] (11352) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (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) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 hederagenin [CHEBI:69579] (1)
 isoprenoid [CHEBI:24913] (1402) 
 terpenoid [CHEBI:26873] (1099) 
 triterpenoid [CHEBI:36615] (228) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 hederagenin [CHEBI:69579] (1)
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 organic acid [CHEBI:64709] (3008) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 hederagenin [CHEBI:69579] (1)
 sapogenin [CHEBI:26606] (10) 
 hederagenin [CHEBI:69579] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (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) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 hederagenin [CHEBI:69579] (1)
 sapogenin [CHEBI:26606] (10) 
 hederagenin [CHEBI:69579] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 hederagenin [CHEBI:69579] (1)
 sapogenin [CHEBI:26606] (10) 
 hederagenin [CHEBI:69579] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 pentacyclic triterpenoid [CHEBI:25872] (112) 
 hederagenin [CHEBI:69579] (1)
 sapogenin [CHEBI:26606] (10) 
 hederagenin [CHEBI:69579] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydroxides [CHEBI:24651] (5641) 
 oxoacid [CHEBI:24833] (3119) 
 carbon oxoacid [CHEBI:35605] (3012) 
 carboxylic acid [CHEBI:33575] (3005) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 monocarboxylic acid [CHEBI:25384] (1620) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 hydroxy carboxylic acid [CHEBI:24669] (422) 
 hydroxy monocarboxylic acid [CHEBI:35868] (396) 
 dihydroxy monocarboxylic acid [CHEBI:35972] (45) 
 hederagenin [CHEBI:69579] (1)
ChEBI Compound Accession Identifier  [CHEBI:69579]
ChEBI Compound Description  A sapogenin that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3 and 23 (the 3beta stereoisomer).
ChEBI Compound Identification Number  69579
ChEBI InChI Value  InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
ChEBI InChIKey Value  PGOYMURMZNDHNS-MYPRUECHSA-N
ChEBI Compound Name  hederagenin
ChEBI SMILES Value  [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O
ChEBI Substance ID  160712516
ChEBI URL  ChEBI:69579
ChemSpider ID  66038
Ontomatica Chemical Accession Key (OnChAKey)  PGOYMURMZNDHNS_MYPRUECHSA_N_000_000000
PubChem Compound ID  73299