2-(2',15-Dihydroxy-17-methoxy-1,20-dimethyl-3'-oxospiro[3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8,17-pentaene-16,5'-oxolane]-2'-yl)propan-2-yl acetate
| Internal ID | f7275153-b4e4-4f9e-9d72-f7be36be921f |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | 2-(2',15-dihydroxy-17-methoxy-1,20-dimethyl-3'-oxospiro[3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8,17-pentaene-16,5'-oxolane]-2'-yl)propan-2-yl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H37NO7/c1-17(32)37-25(2,3)30(35)22(33)16-28(38-30)23(36-6)12-13-26(4)27(5)18(11-14-29(26,28)34)15-20-19-9-7-8-10-21(19)31-24(20)27/h7-10,12,18,31,34-35H,11,13-16H2,1-6H3 |
| InChI Key | HGNVJOIZPKHOCX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H37NO7 |
| Molecular Weight | 523.60 g/mol |
| Exact Mass | 523.25700252 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 2-(2',15-Dihydroxy-17-methoxy-1,20-dimethyl-3'-oxospiro[3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8,17-pentaene-16,5'-oxolane]-2'-yl)propan-2-yl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2b2298c0-8641-11ee-9581-7b8c38dfa55e.jpg "2D Structure of 2-(2',15-Dihydroxy-17-methoxy-1,20-dimethyl-3'-oxospiro[3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8,17-pentaene-16,5'-oxolane]-2'-yl)propan-2-yl acetate")
| 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 | 99.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.66% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.40% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.67% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.39% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.44% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.23% | 94.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.46% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.73% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.16% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.15% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.78% | 94.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.83% | 94.62% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 88.21% | 92.97% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.85% | 95.71% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.14% | 96.39% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.01% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 85.39% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.01% | 97.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.28% | 94.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.13% | 92.94% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.59% | 88.56% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.86% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.84% | 98.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.74% | 97.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.60% | 93.99% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.01% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.88% | 97.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.78% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.50% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.47% | 90.08% |
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.
| There are no matching plants. |
| PubChem | 85384265 |
| LOTUS | LTS0091944 |
| wikiData | Q105027876 |