Fissistigine A
| Internal ID | 27fff374-0a7c-44a8-bbfb-a869783e3565 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol |
| SMILES (Canonical) | COC1=CC2=C(C(=C1)O)C3=C4C(C2)NCCC4=CC5=C3OCO5 |
| SMILES (Isomeric) | COC1=CC2=C(C(=C1)O)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5 |
| InChI | InChI=1S/C18H17NO4/c1-21-11-4-10-5-12-15-9(2-3-19-12)6-14-18(23-8-22-14)17(15)16(10)13(20)7-11/h4,6-7,12,19-20H,2-3,5,8H2,1H3/t12-/m1/s1 |
| InChI Key | PTEWWARRGIJHQK-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H17NO4 |
| Molecular Weight | 311.30 g/mol |
| Exact Mass | 311.11575802 g/mol |
| Topological Polar Surface Area (TPSA) | 60.00 Ų |
| XlogP | 2.40 |
| 70420-58-5 |
| HY-N9379 |
| AKOS040758299 |
| FS-7372 |
| CS-0159580 |
| E88693 |
| 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 | 99.18% | 91.11% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 98.24% | 95.55% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.62% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.23% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.20% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.17% | 96.77% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 92.52% | 96.76% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.26% | 93.99% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.96% | 92.68% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 90.88% | 91.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.06% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.02% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.60% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.78% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.61% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.56% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.36% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.20% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.61% | 99.17% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 84.34% | 88.48% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.20% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.03% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.31% | 91.49% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.17% | 80.96% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.86% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.22% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.13% | 98.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.72% | 95.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.63% | 99.15% |
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.
| Fissistigma oldhamii |
| Xylopia parviflora |
| PubChem | 14604489 |
| LOTUS | LTS0271416 |
| wikiData | Q105214599 |