15-(5-Hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | 55c0a496-89b3-4ad9-8478-849cb3444fd8 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 15-(5-hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H50O4/c1-18(2)25(34-33)21(31)16-19(3)20-10-12-28(7)23-9-8-22-26(4,5)24(32)11-13-29(22)17-30(23,29)15-14-27(20,28)6/h19-25,31-33H,1,8-17H2,2-7H3 |
| InChI Key | XSBBXSMODSRERW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O4 |
| Molecular Weight | 474.70 g/mol |
| Exact Mass | 474.37091007 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of 15-(5-Hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/38659230-8448-11ee-b66c-99aec7f93ffb.jpg "2D Structure of 15-(5-Hydroperoxy-4-hydroxy-6-methylhept-6-en-2-yl)-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.88% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.50% | 97.25% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.87% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.92% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.43% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.16% | 94.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.63% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.65% | 95.89% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.09% | 92.86% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.89% | 95.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.47% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.81% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.56% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.00% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.51% | 98.75% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.42% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.19% | 90.24% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.09% | 90.17% |
| CHEMBL240 | Q12809 | HERG | 83.05% | 89.76% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.80% | 92.62% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.03% | 96.47% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.36% | 91.03% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.01% | 97.93% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.74% | 97.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.73% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.57% | 93.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.30% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.18% | 97.14% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.04% | 95.17% |
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.
| Aglaia argentea |
| PubChem | 85235764 |
| LOTUS | LTS0100811 |
| wikiData | Q105340919 |