Xestobergsterol C
| Internal ID | 056251c3-816a-4d12-9ee8-3f96da3cdc08 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids |
| IUPAC Name | (1R,2R,4S,5R,7R,8S,9R,12S,13R,15S,16S,18S,19R,20R)-5,15,16,19,20-pentahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H44O6/c1-12(2)9-27(33)10-13(3)19-21(27)24(32)20-18-14(6-7-25(19,20)4)26(5)11-17(29)16(28)8-15(26)22(30)23(18)31/h12-23,28-31,33H,6-11H2,1-5H3/t13-,14+,15-,16+,17+,18-,19+,20+,21-,22-,23-,25-,26-,27-/m1/s1 |
| InChI Key | IDHRDQMFJYOCOC-IPKCJDDUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H44O6 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.31378912 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
| 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 | 98.44% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.65% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.86% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.68% | 95.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.13% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.25% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.41% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.40% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.94% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.84% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.40% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.05% | 90.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.48% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.54% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.50% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.40% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.98% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.71% | 94.75% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.23% | 98.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.40% | 93.04% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.22% | 96.61% |
| CHEMBL204 | P00734 | Thrombin | 81.43% | 96.01% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.26% | 97.14% |
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.
| There are no matching plants. |
| PubChem | 10389724 |
| LOTUS | LTS0043117 |
| wikiData | Q105111372 |