8-(6-Hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
| Internal ID | 2ae86235-12a8-4e27-96cf-4433ee26cf0c |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cucurbitacins |
| IUPAC Name | 8-(6-hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol |
| SMILES (Canonical) | CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4)C)C |
| SMILES (Isomeric) | CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2C=CC5(C3CCC(C5(C)C)O)OC4)C)C |
| InChI | InChI=1S/C30H48O3/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)22-13-16-30-23(10-11-24(31)26(30,4)5)29(22,19-33-30)18-17-27(21,28)6/h8,13-14,16,20-24,31-32H,9-12,15,17-19H2,1-7H3 |
| InChI Key | GDWGKJJMMBZZDX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 8-(6-Hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2548f2d0-8611-11ee-9efc-9730f1d5f293.jpg "2D Structure of 8-(6-Hydroxy-6-methylhept-4-en-2-yl)-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.46% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.54% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.49% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.35% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.43% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.20% | 96.77% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.61% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.43% | 91.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.42% | 100.00% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 87.03% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.62% | 92.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.28% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.89% | 98.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.51% | 97.79% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.97% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.76% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.51% | 89.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.77% | 89.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.61% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 81.05% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.81% | 91.07% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.77% | 89.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.71% | 97.28% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.61% | 95.56% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 80.33% | 87.16% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.33% | 90.24% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.19% | 95.00% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 80.16% | 100.00% |
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.
| Momordica charantia |
| PubChem | 73317078 |
| LOTUS | LTS0255887 |
| wikiData | Q105006998 |