[7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 3-phenylprop-2-enoate
| Internal ID | fbd94ffd-b071-4cc8-837b-f7ef4ee01bf4 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC=CC=C6)C)C |
| SMILES (Isomeric) | CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC=CC=C6)C)C |
| InChI | InChI=1S/C40H58O2/c1-27(2)28(3)14-15-29(4)31-20-22-38(8)33-18-17-32-36(5,6)34(42-35(41)19-16-30-12-10-9-11-13-30)21-23-39(32)26-40(33,39)25-24-37(31,38)7/h9-13,16,19,27,29,31-34H,3,14-15,17-18,20-26H2,1-2,4-8H3 |
| InChI Key | LFXJONXXPRSBIC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H58O2 |
| Molecular Weight | 570.90 g/mol |
| Exact Mass | 570.44368109 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 13.00 |
| There are no found synonyms. |
![2D Structure of [7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/fd998000-85ec-11ee-9790-b133c63154bc.jpg "2D Structure of [7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 3-phenylprop-2-enoate")
| 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 | 99.06% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.68% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.64% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.84% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.63% | 94.62% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 91.78% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.95% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.08% | 95.50% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.05% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.75% | 90.17% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 89.53% | 94.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.04% | 93.99% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 87.97% | 94.08% |
| CHEMBL5028 | O14672 | ADAM10 | 86.91% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.21% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.16% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.05% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.70% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.65% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.64% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.18% | 90.00% |
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.
| Hoya australis |
| PubChem | 162847658 |
| LOTUS | LTS0072511 |
| wikiData | Q105151195 |