[(7R,8R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-7,9,11,12,16,17-hexahydrocyclopenta[a]phenanthren-7-yl] acetate
Internal ID | 847eebb5-055b-4ee9-9f4a-7f885380bbb9 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > 17-furanylsteroids and derivatives |
IUPAC Name | [(7R,8R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-7,9,11,12,16,17-hexahydrocyclopenta[a]phenanthren-7-yl] acetate |
SMILES (Canonical) | CC(=O)OC1C=C2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C5=COC=C5)C)C)(C)C |
SMILES (Isomeric) | CC(=O)O[C@@H]1C=C2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1(C4=CC[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C |
InChI | InChI=1S/C28H34O4/c1-17(29)32-24-15-22-25(2,3)23(30)10-13-27(22,5)21-9-12-26(4)19(18-11-14-31-16-18)7-8-20(26)28(21,24)6/h8,10-11,13-16,19,21,24H,7,9,12H2,1-6H3/t19-,21+,24+,26-,27+,28-/m0/s1 |
InChI Key | ONRPYXONLNWLLL-FWXLCELLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H34O4 |
Molecular Weight | 434.60 g/mol |
Exact Mass | 434.24570956 g/mol |
Topological Polar Surface Area (TPSA) | 56.50 Ų |
XlogP | 5.20 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.05% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.07% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.85% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 92.68% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.36% | 97.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.04% | 97.25% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.43% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.31% | 95.89% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.89% | 82.69% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.85% | 91.19% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.44% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.27% | 94.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.27% | 96.77% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.60% | 93.04% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.19% | 100.00% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.88% | 97.28% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.79% | 95.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.88% | 99.23% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.52% | 92.62% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.14% | 86.33% |
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.
Chisocheton cumingianus subsp. balansae |
PubChem | 101846445 |
LOTUS | LTS0071719 |
wikiData | Q105195088 |