(7-Ethenyl-4b-hydroxy-1,4a,7-trimethyl-2,3,4,5,6,8,8a,9,10,10a-decahydrophenanthren-1-yl)methyl pentanoate
| Internal ID | 94876f32-e251-45bf-a77e-6f85d872868a |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Hydrophenanthrenes |
| IUPAC Name | (7-ethenyl-4b-hydroxy-1,4a,7-trimethyl-2,3,4,5,6,8,8a,9,10,10a-decahydrophenanthren-1-yl)methyl pentanoate |
| SMILES (Canonical) | CCCCC(=O)OCC1(CCCC2(C1CCC3C2(CCC(C3)(C)C=C)O)C)C |
| SMILES (Isomeric) | CCCCC(=O)OCC1(CCCC2(C1CCC3C2(CCC(C3)(C)C=C)O)C)C |
| InChI | InChI=1S/C25H42O3/c1-6-8-10-21(26)28-18-23(4)13-9-14-24(5)20(23)12-11-19-17-22(3,7-2)15-16-25(19,24)27/h7,19-20,27H,2,6,8-18H2,1,3-5H3 |
| InChI Key | ZYQILNWUKPTLKB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H42O3 |
| Molecular Weight | 390.60 g/mol |
| Exact Mass | 390.31339520 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 6.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.26% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.45% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.05% | 98.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.72% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.18% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.93% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.35% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.12% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.64% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.14% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.74% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.64% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.66% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.58% | 90.17% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 87.19% | 97.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.73% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.55% | 92.86% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.10% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.92% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.42% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.37% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.92% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.17% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.99% | 97.79% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.51% | 95.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.23% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.06% | 92.62% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.81% | 97.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.30% | 91.24% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.84% | 95.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.16% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.96% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.72% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.67% | 95.56% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.58% | 82.50% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.23% | 96.33% |
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.
| Calceolaria lepida |
| PubChem | 14757852 |
| LOTUS | LTS0088624 |
| wikiData | Q105386346 |