(1S,5R,6R,9R,10S,13R,14S,19R)-2,5,10,13-tetramethyl-6-propan-2-yl-19-prop-1-en-2-yl-18-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosane
| Internal ID | d27f8812-21eb-4445-9741-1fedf43bcf02 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives |
| IUPAC Name | (1S,5R,6R,9R,10S,13R,14S,19R)-2,5,10,13-tetramethyl-6-propan-2-yl-19-prop-1-en-2-yl-18-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosane |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CCC5(C4CCCO5)C(=C)C)C)C)C)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@H]2[C@@]1(CCC3([C@]2(CC[C@@]4([C@@H]3CC[C@@]5([C@H]4CCCO5)C(=C)C)C)C)C)C |
| InChI | InChI=1S/C30H50O/c1-20(2)22-11-12-23-26(22,5)15-17-29(8)24-13-14-30(21(3)4)25(10-9-19-31-30)27(24,6)16-18-28(23,29)7/h20,22-25H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26-,27-,28+,29?,30+/m1/s1 |
| InChI Key | OGLQXWVNFSFKNY-QKQAXDDRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O |
| Molecular Weight | 426.70 g/mol |
| Exact Mass | 426.386166214 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 9.70 |
| There are no found synonyms. |
![2D Structure of (1S,5R,6R,9R,10S,13R,14S,19R)-2,5,10,13-tetramethyl-6-propan-2-yl-19-prop-1-en-2-yl-18-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosane](https://plantaedb.com/storage/docs/compounds/2023/11/415d3810-8258-11ee-b6cf-dd4ff9f2d509.jpg "2D Structure of (1S,5R,6R,9R,10S,13R,14S,19R)-2,5,10,13-tetramethyl-6-propan-2-yl-19-prop-1-en-2-yl-18-oxapentacyclo[11.8.0.02,10.05,9.014,19]henicosane")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.81% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.54% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.61% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.94% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.85% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.98% | 96.61% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.26% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.15% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.88% | 95.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.17% | 92.88% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 87.01% | 98.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.34% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.43% | 89.05% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 84.41% | 95.36% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.30% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.91% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.70% | 97.14% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.38% | 98.10% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.93% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.43% | 97.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.94% | 91.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.56% | 100.00% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 80.29% | 97.56% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.05% | 95.34% |
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.
| Euphorbia maculata |
| PubChem | 163188366 |
| LOTUS | LTS0225035 |
| wikiData | Q105191698 |