(1R,4S,7S,8R,13R,14R,16S)-13-hydroxy-10,14-dimethyl-7-propan-2-yl-2,3,18-trioxapentacyclo[6.6.2.21,4.04,16.012,15]octadeca-9,12(15)-dien-11-one
Internal ID | 8ecdb2de-5c8d-4f3a-bd36-135cbc23926f |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Rhamnofolane and daphnane diterpenoids |
IUPAC Name | (1R,4S,7S,8R,13R,14R,16S)-13-hydroxy-10,14-dimethyl-7-propan-2-yl-2,3,18-trioxapentacyclo[6.6.2.21,4.04,16.012,15]octadeca-9,12(15)-dien-11-one |
SMILES (Canonical) | CC1C(C2=C3C14OCC5(C3C(C=C(C2=O)C)C(CC5)C(C)C)OO4)O |
SMILES (Isomeric) | C[C@@H]1[C@H](C2=C3[C@@]14OC[C@]5([C@H]3[C@@H](C=C(C2=O)C)[C@@H](CC5)C(C)C)OO4)O |
InChI | InChI=1S/C20H26O5/c1-9(2)12-5-6-19-8-23-20(25-24-19)11(4)18(22)14-16(20)15(19)13(12)7-10(3)17(14)21/h7,9,11-13,15,18,22H,5-6,8H2,1-4H3/t11-,12+,13+,15+,18-,19-,20-/m1/s1 |
InChI Key | SELAHBLHWQPORJ-ZNBIGWPYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H26O5 |
Molecular Weight | 346.40 g/mol |
Exact Mass | 346.17802393 g/mol |
Topological Polar Surface Area (TPSA) | 65.00 Ų |
XlogP | 1.60 |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 94.52% | 98.95% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.45% | 94.75% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.18% | 99.23% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.71% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.61% | 89.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.42% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.52% | 96.09% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.51% | 93.03% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.19% | 100.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.04% | 95.56% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.20% | 90.71% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.08% | 93.04% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.94% | 95.89% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.91% | 94.80% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.65% | 91.24% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.11% | 98.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.76% | 94.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.37% | 97.09% |
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.
Jatropha curcas |
PubChem | 162867270 |
LOTUS | LTS0042211 |
wikiData | Q105251258 |