Scutebarbatine H
| Internal ID | cc28f382-f497-4953-ae90-a379eaf3e952 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [(1R,2S,3R,4S,4aS,8aR)-2,3-dihydroxy-3,4,8,8a-tetramethyl-4-[(2R)-6-oxo-3,4-dihydro-2H-furo[2,3-c]furan-2-yl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate |
| SMILES (Canonical) | CC1=CCCC2C1(C(C(C(C2(C)C3CC4=C(O3)C(=O)OC4)(C)O)O)OC(=O)C5=CN=CC=C5)C |
| SMILES (Isomeric) | CC1=CCC[C@H]2[C@]1([C@H]([C@@H]([C@]([C@]2(C)[C@H]3CC4=C(O3)C(=O)OC4)(C)O)O)OC(=O)C5=CN=CC=C5)C |
| InChI | InChI=1S/C26H31NO7/c1-14-7-5-9-17-24(14,2)21(34-22(29)15-8-6-10-27-12-15)20(28)26(4,31)25(17,3)18-11-16-13-32-23(30)19(16)33-18/h6-8,10,12,17-18,20-21,28,31H,5,9,11,13H2,1-4H3/t17-,18+,20-,21-,24-,25-,26-/m0/s1 |
| InChI Key | ADBRHQRSKHISPR-JYNQJKKPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H31NO7 |
| Molecular Weight | 469.50 g/mol |
| Exact Mass | 469.21005233 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 2.20 |
| CHEBI:66448 |
| Q27135009 |
| [(1R,2S,3R,4S,4aS,8aR)-2,3-dihydroxy-3,4,8,8a-tetramethyl-4-[(2R)-6-oxo-3,4-dihydro-2H-furo[2,3-c]furan-2-yl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate |
| 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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.27% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.64% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.38% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.30% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.60% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.90% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.47% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.78% | 97.09% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.90% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.19% | 100.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.97% | 81.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.44% | 94.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.11% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.65% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.49% | 95.89% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.17% | 83.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.16% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.12% | 90.00% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 82.41% | 95.55% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.33% | 94.73% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.68% | 97.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.15% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.07% | 94.45% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.70% | 86.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.19% | 97.33% |
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.
| Scutellaria barbata |
| PubChem | 23583634 |
| LOTUS | LTS0127585 |
| wikiData | Q27135009 |