15-(6-Hydroperoxy-6-methylhept-4-en-2-yl)-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
| Internal ID | f157bb12-63c5-4d68-91f9-cb1753c2cf37 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 15-(6-hydroperoxy-6-methylhept-4-en-2-yl)-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid |
| SMILES (Canonical) | CC(CC=CC(C)(C)OO)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C |
| SMILES (Isomeric) | CC(CC=CC(C)(C)OO)C1CCC2(C1(CCC34C2CCC5C3(C4)C(CC(C5(C)C(=O)O)O)O)C)C |
| InChI | InChI=1S/C30H48O6/c1-18(8-7-12-25(2,3)36-35)19-11-13-27(5)20-9-10-21-28(6,24(33)34)22(31)16-23(32)30(21)17-29(20,30)15-14-26(19,27)4/h7,12,18-23,31-32,35H,8-11,13-17H2,1-6H3,(H,33,34) |
| InChI Key | JTYXNNOTXILRNY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O6 |
| Molecular Weight | 504.70 g/mol |
| Exact Mass | 504.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of 15-(6-Hydroperoxy-6-methylhept-4-en-2-yl)-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/61847a80-85e7-11ee-84a0-b96337fceebd.jpg "2D Structure of 15-(6-Hydroperoxy-6-methylhept-4-en-2-yl)-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.97% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 96.88% | 85.31% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 95.97% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.51% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.32% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.52% | 96.61% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 90.28% | 97.47% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.26% | 89.34% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 89.26% | 82.05% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.07% | 93.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.70% | 95.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.41% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.95% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.58% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.28% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.20% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.08% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.30% | 96.38% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.69% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.69% | 95.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.10% | 98.75% |
| CHEMBL240 | Q12809 | HERG | 81.42% | 89.76% |
| CHEMBL5028 | O14672 | ADAM10 | 81.11% | 97.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.95% | 95.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.66% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.59% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.26% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.21% | 95.71% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.09% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.02% | 92.62% |
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.
| Markhamia lutea |
| PubChem | 162870269 |
| LOTUS | LTS0136850 |
| wikiData | Q105135090 |