(12S)-18-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol
| Internal ID | bdbc92d4-99db-44d6-a8ca-f793712bb098 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12S)-18-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol |
| SMILES (Canonical) | COC1=C(C2=C3C(CC4=CC5=C(C=C42)OCO5)NCCC3=C1)O |
| SMILES (Isomeric) | COC1=C(C2=C3[C@H](CC4=CC5=C(C=C42)OCO5)NCCC3=C1)O |
| InChI | InChI=1S/C18H17NO4/c1-21-15-5-9-2-3-19-12-4-10-6-13-14(23-8-22-13)7-11(10)17(16(9)12)18(15)20/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m0/s1 |
| InChI Key | JWDBVEYVPQADLG-LBPRGKRZSA-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 |
| There are no found synonyms. |
![2D Structure of (12S)-18-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ec709570-83b6-11ee-984e-9fc9455e02ac.jpg "2D Structure of (12S)-18-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-19-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 | 98.88% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.79% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.06% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.85% | 96.77% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.44% | 96.21% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.54% | 92.62% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 91.28% | 95.55% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.98% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.93% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.63% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 90.62% | 88.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.44% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.00% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.88% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.31% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.60% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.58% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.73% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.65% | 89.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.90% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.74% | 94.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 84.19% | 91.79% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.11% | 82.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.26% | 98.75% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.21% | 95.78% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 80.02% | 80.96% |
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.
| Annona glabra |
| Annona hayesii |
| Annona spinescens |
| Cassytha pubescens |
| Ocotea lancifolia |
| Ocotea sinuata |
| PubChem | 10064023 |
| LOTUS | LTS0237408 |
| wikiData | Q104397883 |