Ganoboninketal F
| Internal ID | f6149cb1-5618-4a36-88d2-2efaaf3a24b2 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Carbocyclic fatty acids |
| IUPAC Name | 3-[(1S,2S,5R,9R,10S,14S,17R)-17-ethyl-1,5,10-trimethyl-9-(2-methyloxiran-2-yl)-7,12-dioxo-16,20-dioxapentacyclo[15.2.1.02,14.05,14.06,11]icos-6(11)-en-10-yl]propanoic acid |
| SMILES (Canonical) | CCC12CCC(O1)(C3CCC4(C3(CC(=O)C5=C4C(=O)CC(C5(C)CCC(=O)O)C6(CO6)C)CO2)C)C |
| SMILES (Isomeric) | CC[C@]12CC[C@](O1)([C@H]3CC[C@@]4([C@@]3(CC(=O)C5=C4C(=O)C[C@H]([C@]5(C)CCC(=O)O)C6(CO6)C)CO2)C)C |
| InChI | InChI=1S/C29H40O7/c1-6-29-12-11-26(4,36-29)19-7-10-25(3)23-17(30)13-20(27(5)15-34-27)24(2,9-8-21(32)33)22(23)18(31)14-28(19,25)16-35-29/h19-20H,6-16H2,1-5H3,(H,32,33)/t19-,20-,24+,25+,26+,27?,28+,29-/m1/s1 |
| InChI Key | JYNAFHGXISHKLU-LAGIPVKXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H40O7 |
| Molecular Weight | 500.60 g/mol |
| Exact Mass | 500.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.20% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.92% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.29% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.53% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.35% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.05% | 93.04% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.27% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.22% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.66% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.57% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.13% | 82.69% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.08% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.85% | 100.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.50% | 80.00% |
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.
| There are no matching plants. |
| PubChem | 146684002 |
| LOTUS | LTS0197891 |
| wikiData | Q105137113 |