Neohop-12-ene
| Internal ID | 6d0431ed-fab5-4588-b5d4-0130618f6e56 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3R,3aS,5aS,5bR,11aS,13bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2=CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@H]2[C@]1(CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CCCC5(C)C)C)C)C)C |
| InChI | InChI=1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h12,20-22,24-25H,9-11,13-19H2,1-8H3/t21-,22+,24?,25?,27+,28+,29-,30-/m1/s1 |
| InChI Key | CFSDWXPIIWGIDB-KPZQMCALSA-N |
| Popularity | 4 references 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 | 10.50 |
| There are no found synonyms. |
| 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 | 97.89% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.09% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.02% | 82.69% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.31% | 99.18% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.80% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.57% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.98% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.70% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.40% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.22% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.20% | 97.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.05% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.56% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.15% | 93.56% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 83.21% | 93.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.33% | 90.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.54% | 93.99% |
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.
| Adiantum capillus-veneris |
| Adiantum edgeworthii |
| Adiantum pedatum |
| Adiantum raddianum |
| Dryopteris crassirhizoma |
| PubChem | 13857697 |
| LOTUS | LTS0027497 |
| wikiData | Q104389386 |