(1S,6S,7R,10S,11R,14R,15R,18R,19S)-2,2,7,10,15,18-hexamethyl-14-propan-2-yl-22,23,24-trioxahexacyclo[19.2.1.01,6.07,19.010,18.011,15]tetracosane
Internal ID | 426f12d1-c7f6-47df-bbd7-037b9dd97500 |
Taxonomy | Organoheterocyclic compounds > Oxepanes |
IUPAC Name | (1S,6S,7R,10S,11R,14R,15R,18R,19S)-2,2,7,10,15,18-hexamethyl-14-propan-2-yl-22,23,24-trioxahexacyclo[19.2.1.01,6.07,19.010,18.011,15]tetracosane |
SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CC5OC6(C4CCCC6(C)C)OO5)C)C)C)C |
SMILES (Isomeric) | CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC[C@@]4([C@@H]3CC5O[C@@]6([C@H]4CCCC6(C)C)OO5)C)C)C)C |
InChI | InChI=1S/C30H50O3/c1-19(2)20-11-12-21-26(20,5)14-16-29(8)23-18-24-31-30(33-32-24)22(10-9-13-25(30,3)4)27(23,6)15-17-28(21,29)7/h19-24H,9-18H2,1-8H3/t20-,21-,22+,23+,24?,26-,27+,28+,29-,30+/m1/s1 |
InChI Key | XZFPIRANKNFFCD-KRRPYQPGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H50O3 |
Molecular Weight | 458.70 g/mol |
Exact Mass | 458.37599545 g/mol |
Topological Polar Surface Area (TPSA) | 27.70 Ų |
XlogP | 9.80 |
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 | 96.94% | 97.25% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.59% | 96.38% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.76% | 96.61% |
CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 91.46% | 95.34% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 90.67% | 92.88% |
CHEMBL2039 | P27338 | Monoamine oxidase B | 90.57% | 92.51% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.30% | 99.18% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.80% | 82.69% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.26% | 97.09% |
CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 89.17% | 96.31% |
CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 89.13% | 97.31% |
CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 88.86% | 98.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.74% | 95.89% |
CHEMBL206 | P03372 | Estrogen receptor alpha | 88.54% | 97.64% |
CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 88.29% | 99.17% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 88.28% | 97.79% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.56% | 96.09% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.75% | 95.58% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.49% | 96.77% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.02% | 95.50% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.70% | 94.45% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.37% | 97.14% |
CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.00% | 98.05% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.86% | 93.56% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.86% | 92.86% |
CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 84.85% | 87.16% |
CHEMBL2581 | P07339 | Cathepsin D | 84.77% | 98.95% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.60% | 95.38% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.91% | 100.00% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.60% | 91.03% |
CHEMBL3869 | P50281 | Matrix metalloproteinase 14 | 83.30% | 93.10% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.91% | 94.75% |
CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 82.76% | 99.00% |
CHEMBL268 | P43235 | Cathepsin K | 81.15% | 96.85% |
CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.77% | 97.56% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.10% | 92.98% |
CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.09% | 99.29% |
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.
Oleandra wallichii |
PubChem | 14544123 |
LOTUS | LTS0142660 |
wikiData | Q104385905 |