3-[5-(4-Acetyloxy-6-methylhept-5-en-2-yl)-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
| Internal ID | 4f1b5c4e-b6d2-4629-b48e-36cb464c6f33 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 3-[5-(4-acetyloxy-6-methylhept-5-en-2-yl)-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid |
| SMILES (Canonical) | CC(CC(C=C(C)C)OC(=O)C)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)C)C)C |
| SMILES (Isomeric) | CC(CC(C=C(C)C)OC(=O)C)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)C)C)C |
| InChI | InChI=1S/C32H50O4/c1-20(2)17-24(36-23(6)33)18-22(5)26-11-13-30(8)27-10-9-25(21(3)4)31(14-12-28(34)35)19-32(27,31)16-15-29(26,30)7/h17,22,24-27H,3,9-16,18-19H2,1-2,4-8H3,(H,34,35) |
| InChI Key | QOXMTTMJKLSLEJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H50O4 |
| Molecular Weight | 498.70 g/mol |
| Exact Mass | 498.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
![2D Structure of 3-[5-(4-Acetyloxy-6-methylhept-5-en-2-yl)-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/7c0ced40-863f-11ee-af6e-63d130ed3e6a.jpg "2D Structure of 3-[5-(4-Acetyloxy-6-methylhept-5-en-2-yl)-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid")
| 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 | 97.63% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.63% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.88% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.10% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.35% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.36% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.27% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.93% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.18% | 93.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 87.68% | 95.69% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.42% | 98.10% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.62% | 89.05% |
| CHEMBL268 | P43235 | Cathepsin K | 86.03% | 96.85% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.82% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.26% | 93.56% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.96% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.62% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.59% | 99.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.10% | 97.47% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.79% | 85.31% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.58% | 89.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.56% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.43% | 96.38% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.58% | 96.47% |
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.
| Kadsura coccinea |
| PubChem | 163006144 |
| LOTUS | LTS0224513 |
| wikiData | Q105225195 |