2-[7,7a,10b-trimethyl-8-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,4a,5,8,9,10,10a-octahydro-1H-azuleno[5,4-b]pyran-3-yl]propan-2-ol
| Internal ID | 35a6d7e1-f72f-4e71-b4cc-cdcea4de748d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-[7,7a,10b-trimethyl-8-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,4a,5,8,9,10,10a-octahydro-1H-azuleno[5,4-b]pyran-3-yl]propan-2-ol |
| SMILES (Canonical) | CC1=CCC2C(CCC(O2)C(C)(C)O)(C3C1(C(CC3)CC4=C(NC5=CC=CC=C54)C(C)(C)C=C)C)C |
| SMILES (Isomeric) | CC1=CCC2C(CCC(O2)C(C)(C)O)(C3C1(C(CC3)CC4=C(NC5=CC=CC=C54)C(C)(C)C=C)C)C |
| InChI | InChI=1S/C33H47NO2/c1-9-30(3,4)29-24(23-12-10-11-13-25(23)34-29)20-22-15-16-26-32(7)19-18-27(31(5,6)35)36-28(32)17-14-21(2)33(22,26)8/h9-14,22,26-28,34-35H,1,15-20H2,2-8H3 |
| InChI Key | AHUPTCAANZMABA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H47NO2 |
| Molecular Weight | 489.70 g/mol |
| Exact Mass | 489.360679742 g/mol |
| Topological Polar Surface Area (TPSA) | 45.20 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of 2-[7,7a,10b-trimethyl-8-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,4a,5,8,9,10,10a-octahydro-1H-azuleno[5,4-b]pyran-3-yl]propan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/8d6f4f40-860e-11ee-a2e8-35bd256327d4.jpg "2D Structure of 2-[7,7a,10b-trimethyl-8-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,4a,5,8,9,10,10a-octahydro-1H-azuleno[5,4-b]pyran-3-yl]propan-2-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.46% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.71% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.05% | 94.45% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 95.43% | 85.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.30% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.71% | 98.95% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 94.50% | 88.56% |
| CHEMBL240 | Q12809 | HERG | 93.84% | 89.76% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.47% | 94.73% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.21% | 92.97% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.17% | 97.25% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.25% | 90.08% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.95% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.76% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.31% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.64% | 97.09% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.05% | 95.92% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.66% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 85.35% | 97.50% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 84.50% | 89.44% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.54% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.32% | 96.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.37% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.04% | 96.21% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.47% | 91.71% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 81.02% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.87% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.57% | 86.33% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.29% | 95.00% |
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.
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| There are no matching plants. |
| PubChem | 85110128 |
| LOTUS | LTS0219971 |
| wikiData | Q104912483 |