C27 17A-Hopane (Tm)
| Internal ID | a9064d61-4bc2-4f1e-a25d-3b8f4bd7f153 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives |
| IUPAC Name | 5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene |
| SMILES (Canonical) | CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC5)C)C)C)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC5)C)C)C)C)C |
| InChI | InChI=1S/C27H46/c1-23(2)14-8-16-25(4)20(23)13-18-27(6)22(25)11-10-21-24(3)15-7-9-19(24)12-17-26(21,27)5/h19-22H,7-18H2,1-6H3 |
| InChI Key | WPKYQECPNNWDJY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H46 |
| Molecular Weight | 370.70 g/mol |
| Exact Mass | 370.359951467 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 10.40 |
| 17beta(H)-22,29,30-TRISNORHOPANE |
| 17ALPHA(H)-22,29,30-TRISNORHOPANE |
| DTXSID60968359 |
| WPKYQECPNNWDJY-UHFFFAOYSA-N |
| 5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysene |
| 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 | 96.19% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.25% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.31% | 82.69% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 86.99% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.07% | 94.75% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 85.90% | 98.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.84% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.24% | 96.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.52% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.34% | 95.89% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.69% | 92.98% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.37% | 99.18% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.14% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.45% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.26% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.23% | 98.10% |
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.
| Adiantum raddianum |
| Dryopteris crassirhizoma |
| PubChem | 40819 |
| LOTUS | LTS0077082 |
| wikiData | Q82951132 |