Protostemodiol
| Internal ID | 1601cf38-c440-4075-9359-d44faf25d33a |
| Taxonomy | Organoheterocyclic compounds > Pyrroloazepines |
| IUPAC Name | (3S,5S)-5-[(3S,8S,9R,9aS)-8-hydroxy-9-[(2S)-1-(5-hydroxy-3-methoxy-4-methylfuran-2-yl)-1-oxopropan-2-yl]-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepin-3-yl]-3-methyloxolan-2-one |
| SMILES (Canonical) | CC1CC(OC1=O)C2CCC3N2CCCC(C3C(C)C(=O)C4=C(C(=C(O4)O)C)OC)O |
| SMILES (Isomeric) | C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@@H]3N2CCC[C@@H]([C@@H]3[C@H](C)C(=O)C4=C(C(=C(O4)O)C)OC)O |
| InChI | InChI=1S/C23H33NO7/c1-11-10-17(30-22(11)27)14-7-8-15-18(16(25)6-5-9-24(14)15)12(2)19(26)21-20(29-4)13(3)23(28)31-21/h11-12,14-18,25,28H,5-10H2,1-4H3/t11-,12-,14-,15-,16-,17-,18+/m0/s1 |
| InChI Key | JQDHOVUUTIBLDW-YFIQHYBRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H33NO7 |
| Molecular Weight | 435.50 g/mol |
| Exact Mass | 435.22570239 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 3.20 |
| CHEMBL404867 |
| 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 |
|---|---|---|---|---|
| CHEMBL204 | P00734 | Thrombin | 94.17% | 96.01% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.81% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.86% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.26% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.17% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.69% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.61% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.97% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.80% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.48% | 96.43% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.90% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.33% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.61% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.55% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.33% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.07% | 93.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.65% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.53% | 94.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.45% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.20% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.01% | 92.50% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.70% | 82.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.70% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.54% | 99.15% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.38% | 96.47% |
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.
| Stemona japonica |
| PubChem | 24769900 |
| LOTUS | LTS0157091 |
| wikiData | Q105133448 |