CBW
(3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID
Find entries where: CBW
is present as a standalone ligand in 2 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID |
| Identifiers | (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid |
| Formula | C30 H46 O4 |
| Molecular Weight | 470.684 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C |
| 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 |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 80 |
| Chiral Atom Count | 9 |
| Bond Count | 84 |
| Aromatic Bond Count | 0 |
Drug Info: DrugBank
| DrugBank ID | DB13089? |
|---|---|
| Name | Enoxolone |
| Groups | investigational |
| Description | Enoxolone (glycyrrhetic acid) has been investigated for the basic science of Apparent Mineralocorticoid Excess (AME). |
| Synonyms |
|
| Categories |
|
| ATC-Code | D03AX10 |
| CAS number | 471-53-4 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL230006 |
| PubChem | 10114 |
| ChEMBL | CHEMBL230006 |
| ChEBI | CHEBI:30853 |
