6-Methoxy-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane
| Internal ID | c61ae565-e750-4f7e-abcf-5d9f663cf5ae |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 6-methoxy-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane |
| SMILES (Canonical) | CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC)C)C |
| SMILES (Isomeric) | CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC)C)C |
| InChI | InChI=1S/C32H54O/c1-21(2)22(3)10-11-23(4)24-14-16-30(8)26-13-12-25-28(5,6)27(33-9)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h21,23-27H,3,10-20H2,1-2,4-9H3 |
| InChI Key | BDDGVJIUYXJSOQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H54O |
| Molecular Weight | 454.80 g/mol |
| Exact Mass | 454.417466342 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 10.80 |
| There are no found synonyms. |
![2D Structure of 6-Methoxy-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane](https://plantaedb.com/storage/docs/compounds/2023/11/4b0000f0-841e-11ee-b854-3d38609c3eca.jpg "2D Structure of 6-Methoxy-7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[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 | 98.74% | 97.25% |
| CHEMBL240 | Q12809 | HERG | 98.59% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.45% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.90% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 93.15% | 90.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.16% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.59% | 92.62% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.35% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.34% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 89.62% | 94.78% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.77% | 96.61% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.11% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.90% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.80% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.63% | 97.14% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 84.10% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.02% | 93.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 83.85% | 99.18% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.15% | 96.61% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.79% | 91.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.23% | 97.79% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.89% | 95.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.85% | 89.05% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.29% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.00% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.97% | 92.88% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.88% | 95.89% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.39% | 98.75% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.26% | 96.25% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.12% | 82.69% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.09% | 95.36% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.07% | 95.58% |
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.
| Amentotaxus formosana |
| PubChem | 73880702 |
| LOTUS | LTS0143516 |
| wikiData | Q104923942 |