CID 14467536
| Internal ID | 1d1c91b8-d87b-42ff-b2f6-9f163f996c76 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate |
| SMILES (Canonical) | CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OCC6(C=CC5=O)C)C)CC(=O)OC)C |
| SMILES (Isomeric) | CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OCC6(C=CC5=O)C)C)CC(=O)OC)C |
| InChI | InChI=1S/C27H32O6/c1-14-16(15-7-9-31-12-15)10-17-21(14)27(4)18(11-20(29)30-5)26(3)19(28)6-8-25(2)13-32-22(23(25)26)24(27)33-17/h6-9,12,16-18,22-24H,10-11,13H2,1-5H3 |
| InChI Key | CWGBIWRWBCYASK-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C27H32O6 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 75.00 Ų |
| XlogP | 2.40 |
| SCHEMBL16561841 |
| AKOS032948235 |
| Methyl 2-[6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.66% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.86% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.20% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.82% | 97.09% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 93.19% | 87.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.79% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.10% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.90% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.66% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.21% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.41% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.94% | 90.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.89% | 94.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.72% | 95.71% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.65% | 81.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.23% | 95.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.68% | 90.24% |
| CHEMBL5028 | O14672 | ADAM10 | 82.64% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.18% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.93% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.38% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.04% | 97.14% |
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.
| Azadirachta indica |
| PubChem | 14467536 |
| LOTUS | LTS0060041 |
| wikiData | Q103818108 |