(4S)-Kaur-15-ene-3alpha,7beta,19-triol 19-acetate
| Internal ID | b8e18c8f-c916-4a68-a52b-0f0884896ba0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Kaurane diterpenoids |
| IUPAC Name | (2,6-dihydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl)methyl acetate |
| SMILES (Canonical) | CC1=CC23CC1CCC2C4(CCC(C(C4CC3O)(C)COC(=O)C)O)C |
| SMILES (Isomeric) | CC1=CC23CC1CCC2C4(CCC(C(C4CC3O)(C)COC(=O)C)O)C |
| InChI | InChI=1S/C22H34O4/c1-13-10-22-11-15(13)5-6-16(22)20(3)8-7-18(24)21(4,12-26-14(2)23)17(20)9-19(22)25/h10,15-19,24-25H,5-9,11-12H2,1-4H3 |
| InChI Key | UFINZJLXAKIFHN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O4 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.20 |
| 37720-83-5 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.86% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.31% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.41% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.09% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.20% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.29% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.36% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.20% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.79% | 100.00% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 83.71% | 91.65% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.35% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.00% | 94.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.54% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 80.25% | 97.50% |
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.
| Sideritis condensata |
| Sideritis leptoclada |
| PubChem | 12311081 |
| LOTUS | LTS0117062 |
| wikiData | Q105271894 |