[3-Acetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,15-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-10-yl] acetate
Internal ID | 1314504b-d9cc-4f7d-8745-5a69c67eaa72 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
IUPAC Name | [3-acetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,15-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-10-yl] acetate |
SMILES (Canonical) | CC(=O)OC1CC2C(OC(=O)CC(C2(C3C1(C45C(O4)C(=O)C(C5(CC3)C)C6=COC=C6)C)C)OC(=O)C)(C)C |
SMILES (Isomeric) | CC(=O)OC1CC2C(OC(=O)CC(C2(C3C1(C45C(O4)C(=O)C(C5(CC3)C)C6=COC=C6)C)C)OC(=O)C)(C)C |
InChI | InChI=1S/C30H38O9/c1-15(31)36-20-13-22(33)38-26(3,4)19-12-21(37-16(2)32)29(7)18(28(19,20)6)8-10-27(5)23(17-9-11-35-14-17)24(34)25-30(27,29)39-25/h9,11,14,18-21,23,25H,8,10,12-13H2,1-7H3 |
InChI Key | JQXVBZPTMJIYCD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H38O9 |
Molecular Weight | 542.60 g/mol |
Exact Mass | 542.25158279 g/mol |
Topological Polar Surface Area (TPSA) | 122.00 Ų |
XlogP | 3.50 |
There are no found synonyms. |
![2D Structure of [3-Acetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,15-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-10-yl] acetate 2D Structure of [3-Acetyloxy-16-(furan-3-yl)-2,7,7,11,17-pentamethyl-5,15-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-10-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6995c750-855e-11ee-9e9d-cb37fb4c2e2c.jpg)
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 | 97.92% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.24% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.09% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.45% | 97.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.58% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.05% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.48% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 88.06% | 98.95% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.43% | 99.23% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.32% | 89.00% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.54% | 93.04% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.94% | 95.89% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.24% | 91.19% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.14% | 94.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.68% | 100.00% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.21% | 94.75% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.50% | 97.14% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.20% | 82.69% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.78% | 97.28% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.16% | 95.58% |
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.
Carapa procera |
PubChem | 163031442 |
LOTUS | LTS0112850 |
wikiData | Q105133741 |