8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-ene-14-carbaldehyde
Internal ID | c2c6d432-82fb-47a0-90c8-6ebce1c7b8cb |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Oxosteroids > 19-oxosteroids |
IUPAC Name | 8,9,10,22-tetrahydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacos-1(25)-ene-14-carbaldehyde |
SMILES (Canonical) | CC1C(C(C2(C(O1)OC3CC4=CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O)O |
SMILES (Isomeric) | CC1C(C(C2(C(O1)OC3CC4=CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O)O |
InChI | InChI=1S/C29H38O10/c1-14-23(32)24(33)29(35)25(37-14)38-20-10-16-3-4-19-18(27(16,13-30)11-21(20)39-29)5-7-26(2)17(6-8-28(19,26)34)15-9-22(31)36-12-15/h3,9,13-14,17-21,23-25,32-35H,4-8,10-12H2,1-2H3 |
InChI Key | RRWYTXGLADGRLX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H38O10 |
Molecular Weight | 546.60 g/mol |
Exact Mass | 546.24649740 g/mol |
Topological Polar Surface Area (TPSA) | 152.00 Ų |
XlogP | -0.70 |
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 |
---|---|---|---|---|
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.92% | 100.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.49% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.65% | 96.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 94.11% | 95.93% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.07% | 95.56% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.24% | 93.40% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.60% | 96.77% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.92% | 94.80% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.92% | 97.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.85% | 95.89% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.82% | 86.33% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.83% | 97.25% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.46% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 87.01% | 98.95% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.43% | 83.57% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.35% | 97.09% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.28% | 95.89% |
CHEMBL1871 | P10275 | Androgen Receptor | 84.22% | 96.43% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.56% | 94.75% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.90% | 96.61% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.46% | 82.69% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.22% | 92.50% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.46% | 99.23% |
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.
Asclepias vestita |
PubChem | 163037252 |
LOTUS | LTS0217065 |
wikiData | Q105244412 |