(12S)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
| Internal ID | 19cd7bab-2753-413b-92d7-cb7aa7221602 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12S)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene |
| SMILES (Canonical) | COC1=C(C2=C3C(CC4=CC5=C(C=C42)OCO5)NCCC3=C1)OC |
| SMILES (Isomeric) | COC1=C(C2=C3[C@H](CC4=CC5=C(C=C42)OCO5)NCCC3=C1)OC |
| InChI | InChI=1S/C19H19NO4/c1-21-16-6-10-3-4-20-13-5-11-7-14-15(24-9-23-14)8-12(11)18(17(10)13)19(16)22-2/h6-8,13,20H,3-5,9H2,1-2H3/t13-/m0/s1 |
| InChI Key | JWXKBCGJLCEZTJ-ZDUSSCGKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 49.00 Ų |
| XlogP | 2.80 |
| BDBM50187679 |
![2D Structure of (12S)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/48adbee0-856c-11ee-95f2-e552ca994acf.jpg "2D Structure of (12S)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.88% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.29% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.78% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.57% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.30% | 93.99% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.22% | 96.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.01% | 92.62% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 90.73% | 95.55% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.80% | 88.48% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.77% | 80.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.64% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.36% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.76% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.03% | 94.45% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.69% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.76% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.43% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.38% | 100.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.26% | 96.86% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.53% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.28% | 98.75% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.14% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.09% | 89.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.02% | 95.12% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.50% | 98.95% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 81.71% | 96.76% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.38% | 95.78% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.63% | 89.50% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.58% | 89.62% |
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.
| Cyclea atjehensis |
| Laureliopsis philippiana |
| Siparuna grandiflora |
| Xylopia parviflora |
| PubChem | 14395308 |
| LOTUS | LTS0096488 |
| wikiData | Q105136431 |