18a-Glycyrrhetinic acid
| Internal ID | b6d55435-ac6d-4ffe-86c2-48e83e18df4f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2S,4aS,6aR,6aS,6bR,10S,12aS,14bS)-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 |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| 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-/m1/s1 |
| InChI Key | MPDGHEJMBKOTSU-NFYGSHHYSA-N |
| Popularity | 266 references in papers |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.70 g/mol |
| Exact Mass | 470.33960994 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 6.40 |
| 18a-Glycyrrhetic acid |
| CHEMBL378653 |
| 18alpha-Glycyrrhetic acid |
| (2S,4aS,6aR,6aS,6bR,10S,12aS,14bS)-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 |
| 18ss -Glycyrrhetinic acid |
| SCHEMBL18539 |
| orb1305082 |
| BDBM50185128 |
| AKOS016009638 |
| DS-5150 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 |
8.6 nM |
IC50 |
via Super-PRED
|
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 |
1.2 nM |
IC50 |
via Super-PRED
|
| CHEMBL1293224 | P10636 | Microtubule-associated protein tau |
354.8 nM |
Potency |
via Super-PRED
|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
89.1 nM |
Potency |
via Super-PRED
|
| CHEMBL3616 | P24723 | Protein kinase C eta |
250 nM |
Kd |
via Super-PRED
|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B |
15600 nM |
IC50 |
PMID: 16580200
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.12% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.72% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.41% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.21% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.42% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.88% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.80% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.44% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.26% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.00% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.69% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.11% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Glycyrrhiza glabra |
| Glycyrrhiza inflata |
| Glycyrrhiza uralensis |
| PubChem | 12193680 |
| NPASS | NPC65120 |
| ChEMBL | CHEMBL378653 |