15-(5,5-Diethyl-6-methylhept-6-en-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane
| Internal ID | 9db55107-65b7-4e83-9120-8e65966e4d16 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 15-(5,5-diethyl-6-methylhept-6-en-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane |
| SMILES (Canonical) | CCC(CC)(CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC)C)C)C(=C)C |
| SMILES (Isomeric) | CCC(CC)(CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC)C)C)C(=C)C |
| InChI | InChI=1S/C35H60O/c1-11-33(12-2,24(3)4)19-15-25(5)26-16-18-32(9)28-14-13-27-30(6,7)29(36-10)17-20-34(27)23-35(28,34)22-21-31(26,32)8/h25-29H,3,11-23H2,1-2,4-10H3 |
| InChI Key | ZZZGDVWQEXOUBV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H60O |
| Molecular Weight | 496.80 g/mol |
| Exact Mass | 496.464416533 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 12.60 |
| There are no found synonyms. |
![2D Structure of 15-(5,5-Diethyl-6-methylhept-6-en-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane](https://plantaedb.com/storage/docs/compounds/2023/11/46a6af80-8506-11ee-ba1d-3156e6a4fa4e.jpg "2D Structure of 15-(5,5-Diethyl-6-methylhept-6-en-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane")
| 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 | 98.12% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.23% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.01% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.17% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.38% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 92.36% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.62% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.33% | 97.79% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.61% | 100.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.27% | 94.78% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.45% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.36% | 95.89% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.20% | 97.64% |
| CHEMBL3837 | P07711 | Cathepsin L | 86.58% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.34% | 92.62% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.13% | 95.58% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.74% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.48% | 94.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.18% | 91.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.68% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.35% | 93.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.27% | 98.75% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.17% | 92.86% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.14% | 92.94% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.13% | 99.35% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 83.61% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.51% | 95.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.27% | 96.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 82.44% | 99.43% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 81.86% | 95.92% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.57% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.01% | 95.89% |
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.
| Skimmia arborescens |
| PubChem | 163029629 |
| LOTUS | LTS0083494 |
| wikiData | Q105387215 |