3,14-Dihydroxycard-20(22)-enolide
Internal ID | f297503c-8a7f-4328-8165-fe39385c5e47 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Cardenolides and derivatives |
IUPAC Name | 3-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2H-furan-5-one |
SMILES (Canonical) | CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O |
SMILES (Isomeric) | CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O |
InChI | InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3 |
InChI Key | XZTUSOXSLKTKJQ-UHFFFAOYSA-N |
Popularity | 14 references in papers |
Molecular Formula | C23H34O4 |
Molecular Weight | 374.50 g/mol |
Exact Mass | 374.24570956 g/mol |
Topological Polar Surface Area (TPSA) | 66.80 Ų |
XlogP | 2.60 |
NSC277290 |
5alpha-Card-20(22)-enolide,14-dihydroxy- |
5.alpha.-Card-20(22)-enolide,14-dihydroxy- |
MLS002701726 |
3,14-Dihydroxycard-20(22)-enolide |
Card-20(22)-enolide,14-dihydroxy-, (3.beta.,5.alpha.)- |
NSC407806 |
NSC-119993 |
NSC-277290 |
ODORIGENINB |
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 |
---|---|---|---|---|---|
CHEMBL4096 | P04637 | Cellular tumor antigen p53 |
158.5 nM |
Potency |
via Super-PRED
|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha |
251.2 nM |
Potency |
via Super-PRED
|
CHEMBL1293235 | P02545 | Prelamin-A/C |
17.8 nM |
Potency |
via Super-PRED
|
CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
794.3 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.90% | 91.11% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 95.56% | 100.00% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.85% | 82.69% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.07% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.03% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.23% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.62% | 97.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.22% | 96.77% |
CHEMBL1871 | P10275 | Androgen Receptor | 88.42% | 96.43% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.15% | 93.04% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.00% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.50% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.50% | 99.23% |
CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.81% | 81.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.89% | 97.25% |
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.
PubChem | 274159 |
LOTUS | LTS0102008 |
wikiData | Q105345172 |