10a-hydroxy-3a,5a-dimethyl-6-(6-methylheptan-2-yl)-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e][1]benzofuran-2-one
| Internal ID | 03471d36-b2c3-45fe-a76d-a37b0dd41be4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 10a-hydroxy-3a,5a-dimethyl-6-(6-methylheptan-2-yl)-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e][1]benzofuran-2-one |
| SMILES (Canonical) | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4(C3(CC(=O)O4)C)O)C |
| SMILES (Isomeric) | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4(C3(CC(=O)O4)C)O)C |
| InChI | InChI=1S/C25H42O3/c1-16(2)7-6-8-17(3)19-9-10-20-18-11-14-25(27)24(5,15-22(26)28-25)21(18)12-13-23(19,20)4/h16-21,27H,6-15H2,1-5H3 |
| InChI Key | KVRPOGNHSWYTJZ-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 | 7.40 |
| There are no found synonyms. |
![2D Structure of 10a-hydroxy-3a,5a-dimethyl-6-(6-methylheptan-2-yl)-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e][1]benzofuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/d2ca6580-8745-11ee-8b6b-932c43e2b521.jpg "2D Structure of 10a-hydroxy-3a,5a-dimethyl-6-(6-methylheptan-2-yl)-3b,4,5,6,7,8,8a,8b,9,10-decahydro-3H-indeno[5,4-e][1]benzofuran-2-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.03% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.57% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.24% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.80% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.10% | 90.71% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.65% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.35% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.16% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.83% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.01% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.82% | 95.56% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.25% | 85.31% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.69% | 82.69% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.09% | 98.03% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.97% | 93.18% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.43% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.28% | 89.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.86% | 98.10% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.84% | 93.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.47% | 96.77% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.43% | 93.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.28% | 90.08% |
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.
| There are no matching plants. |
| PubChem | 14562426 |
| LOTUS | LTS0171013 |
| wikiData | Q105146676 |