Hopene b
| Internal ID | 78bee59f-ca14-4880-9f9a-7f301e879226 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Hopanoids |
| IUPAC Name | 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene |
| SMILES (Canonical) | CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C |
| SMILES (Isomeric) | CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C |
| InChI | InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3 |
| InChI Key | HHXYJYBYNZMZKX-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H50 |
| Molecular Weight | 410.70 g/mol |
| Exact Mass | 410.391251595 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 11.40 |
| HHXYJYBYNZMZKX-UHFFFAOYSA-N |
| 3-Isopropenyl-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysene # |
| 6917-78-8 |
| 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 | 97.99% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.61% | 96.61% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.78% | 97.93% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.36% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.71% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.18% | 96.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.08% | 98.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.06% | 91.11% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 85.68% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.98% | 100.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.90% | 92.97% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.29% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.17% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.46% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.84% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.98% | 94.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.78% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.02% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.76% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.34% | 98.99% |
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.
| Abietinella abietina |
| Adiantum capillus-veneris |
| Adiantum edgeworthii |
| Cheiropleuria bicuspis |
| Goniophlebium mengtzeense |
| Plicanthus hirtellus |
| Polypodium virginianum |
| Pyrrosia lingua |
| PubChem | 605866 |
| LOTUS | LTS0264295 |
| wikiData | Q104167883 |