8alpha-Hydroxyfernan-25,7beta-olide
| Internal ID | 5fcafae0-89ad-4620-9a27-fcf28591bc42 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (1R,2R,5S,6R,9R,10R,13S,14R,15S,17S)-14-hydroxy-5,10,13,18,18-pentamethyl-9-propan-2-yl-23-oxahexacyclo[13.6.2.01,17.02,14.05,13.06,10]tricosan-22-one |
| SMILES (Canonical) | CC(C)C1CCC2C1(CCC3(C2(CCC4C3(C5CC6C4(CCCC6(C)C)C(=O)O5)O)C)C)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC[C@H]4[C@@]3([C@@H]5C[C@@H]6[C@@]4(CCCC6(C)C)C(=O)O5)O)C)C)C |
| InChI | InChI=1S/C30H48O3/c1-18(2)19-9-10-20-26(19,5)15-16-28(7)27(20,6)14-11-21-29-13-8-12-25(3,4)22(29)17-23(30(21,28)32)33-24(29)31/h18-23,32H,8-17H2,1-7H3/t19-,20-,21-,22+,23+,26-,27+,28+,29+,30+/m1/s1 |
| InChI Key | AWKQCEWSSUBAJV-YWDAATOXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 8.00 |
| 6,11a-(epoxymethano)-11aH-cyclopenta[a]chrysen-14-one, eicosahydro-5b-hydroxy-3a,5a,8,8,13a-pentamethyl-3-(1-methylethyl)-, (3R,3aR,5aS,5bR,6S,7aS,11aR,11bR,13aS,13bR)- |
| InChI=1/C30H48O3/c1-18(2)19-9-10-20-26(19,5)15-16-28(7)27(20,6)14-11-21-29-13-8-12-25(3,4)22(29)17-23(30(21,28)32)33-24(29)31/h18-23,32H,8-17H2,1-7H3/t19-,20-,21-,22+,23+,26-,27+,28+,29+,30+/m1/s |
| rel-(3R,3aR,5aS,5bR,6S,7aS,11aR,11bR,13aS,13bR)-5b-hydroxy-3-isopropyl-3a,5a,8,8,13a-pentamethylicosahydro-6,11a-(epoxymethano)cyclopenta[a]chrysen-14-one |
| 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 | 99.53% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.92% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.52% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.50% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.41% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.03% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.62% | 97.14% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 87.21% | 99.29% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.17% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.83% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.72% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.25% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.82% | 93.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.77% | 92.88% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.87% | 96.61% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.32% | 95.71% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.32% | 99.18% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.98% | 85.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.54% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.47% | 93.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.34% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.31% | 99.23% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 80.18% | 95.69% |
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 caudatum |
| PubChem | 636899 |
| LOTUS | LTS0209247 |
| wikiData | Q104920098 |