7,7,12,16-Tetramethyl-15-(5-propan-2-ylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
| Internal ID | 820b7a5c-54d2-451c-97f6-24ca8111256e |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 7,7,12,16-tetramethyl-15-(5-propan-2-ylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| SMILES (Canonical) | CC=C(CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C(C)C |
| SMILES (Isomeric) | CC=C(CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C)C(C)C |
| InChI | InChI=1S/C32H54O/c1-9-23(21(2)3)11-10-22(4)24-14-16-30(8)26-13-12-25-28(5,6)27(33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h9,21-22,24-27,33H,10-20H2,1-8H3 |
| InChI Key | XRENWQMYTMSDJI-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) | 20.20 Ų |
| XlogP | 10.50 |
| There are no found synonyms. |
![2D Structure of 7,7,12,16-Tetramethyl-15-(5-propan-2-ylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/dfe988a0-8672-11ee-bd6b-4d50c86ff767.jpg "2D Structure of 7,7,12,16-Tetramethyl-15-(5-propan-2-ylhept-5-en-2-yl)pentacyclo[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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.40% | 97.25% |
| CHEMBL240 | Q12809 | HERG | 95.88% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.50% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.85% | 91.11% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.70% | 95.58% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.00% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.81% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.59% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.69% | 92.86% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.49% | 95.17% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.47% | 89.05% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.83% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.88% | 82.69% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 86.39% | 97.64% |
| CHEMBL233 | P35372 | Mu opioid receptor | 86.09% | 97.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.73% | 94.45% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.63% | 98.05% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 85.46% | 95.34% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.53% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.27% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.73% | 95.89% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.58% | 90.24% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.55% | 98.75% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.27% | 98.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.18% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.97% | 92.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.65% | 93.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.62% | 92.98% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.19% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.04% | 97.79% |
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.
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| There are no matching plants. |
| PubChem | 163069923 |
| LOTUS | LTS0078980 |
| wikiData | Q105340422 |