loading...| Preferred Name |
glycyrrhetinic acid |
|
| Synonyms |
3beta-hydroxy-11-oxoolean-12-en-30-oic acid Glycyrrhetinic acid 18beta-glycyrrhetic acid Enoxolone |
|
| Definitions |
A pentacyclic triterpenoid that is olean-12-ene substituted by a hydroxy group at position 3, an oxo group at position 11 and a carboxy group at position 30. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_30853 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:1449-05-4 PDBeChem:CBW Beilstein:2229654 Reaxys:2229654 PMID:14411793 Drug_Central:3178 PMID:18771671 KNApSAcK:C00003521 PMID:17166674 CAS:471-53-4 Wikipedia:Glycyrrhetinic_acid KEGG:C02283 PMID:24386942 KEGG:D00156 |
|
| definition |
A pentacyclic triterpenoid that is olean-12-ene substituted by a hydroxy group at position 3, an oxo group at position 11 and a carboxy group at position 30. |
|
| formula |
C30H46O4 |
|
| has parent hydride | ||
| has role | ||
| has_alternative_id |
CHEBI:5507 CHEBI:24417 |
|
| has_exact_synonym |
3beta-hydroxy-11-oxoolean-12-en-30-oic acid Glycyrrhetinic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
18beta-glycyrrhetic acid Enoxolone |
|
| id |
CHEBI:30853 |
|
| in_subset | ||
| inchi |
InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 |
|
| inchikey |
MPDGHEJMBKOTSU-YKLVYJNSSA-N |
|
| is conjugate acid of | ||
| label |
glycyrrhetinic acid |
|
| mass |
470.68380 |
|
| monoisotopicmass |
470.33961 |
|
| notation |
CHEBI:30853 |
|
| prefLabel |
glycyrrhetinic acid |
|
| smiles |
[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35868 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35868 |