9,14,18-Trihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
| Internal ID | 9b3c72c7-120a-47be-902d-bc7693b74252 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
| IUPAC Name | 9,14,18-trihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one |
| SMILES (Canonical) | CC1(C2C(CC3C4(CC(C(C4(CC(C35C2(C5)CCC1=O)O)C)C6(CCC(O6)C(C)(C)O)C)O)C)O)C |
| SMILES (Isomeric) | CC1(C2C(CC3C4(CC(C(C4(CC(C35C2(C5)CCC1=O)O)C)C6(CCC(O6)C(C)(C)O)C)O)C)O)C |
| InChI | InChI=1S/C30H48O6/c1-24(2)19(33)8-11-29-15-30(29)18(12-16(31)22(24)29)26(5)13-17(32)23(27(26,6)14-20(30)34)28(7)10-9-21(36-28)25(3,4)35/h16-18,20-23,31-32,34-35H,8-15H2,1-7H3 |
| InChI Key | XZAPGQTZXQNKBS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O6 |
| Molecular Weight | 504.70 g/mol |
| Exact Mass | 504.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 9,14,18-Trihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/4ded6c80-85c4-11ee-9fb1-b580794528a9.jpg "2D Structure of 9,14,18-Trihydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.75% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.53% | 91.11% |
| CHEMBL204 | P00734 | Thrombin | 92.87% | 96.01% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.14% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.37% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.84% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.66% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.44% | 82.69% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.99% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.75% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 89.24% | 95.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.21% | 85.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.76% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.95% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.76% | 96.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.14% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.44% | 96.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.48% | 97.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.96% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.90% | 89.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.64% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.63% | 90.93% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.14% | 96.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.08% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.26% | 98.95% |
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.
| Astragalus taschkendicus |
| PubChem | 14392627 |
| LOTUS | LTS0202853 |
| wikiData | Q105344769 |