4-Ethenyl-5-isocyano-4,9,9,20,20-pentamethyl-7-oxa-11-azahexacyclo[14.3.1.05,19.06,8.010,18.012,17]icosa-10,12,14,16-tetraene-18,19-diol
| Internal ID | 7fe37183-ed2c-4b24-9ad0-b41fb46423a0 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 4-ethenyl-5-isocyano-4,9,9,20,20-pentamethyl-7-oxa-11-azahexacyclo[14.3.1.05,19.06,8.010,18.012,17]icosa-10,12,14,16-tetraene-18,19-diol |
| SMILES (Canonical) | CC1(C2CCC(C3(C2(C4(C5=C1C=CC=C5N=C4C(C6C3O6)(C)C)O)O)[N+]#[C-])(C)C=C)C |
| SMILES (Isomeric) | CC1(C2CCC(C3(C2(C4(C5=C1C=CC=C5N=C4C(C6C3O6)(C)C)O)O)[N+]#[C-])(C)C=C)C |
| InChI | InChI=1S/C26H30N2O3/c1-8-23(6)13-12-16-21(2,3)14-10-9-11-15-17(14)24(29)20(28-15)22(4,5)18-19(31-18)25(23,27-7)26(16,24)30/h8-11,16,18-19,29-30H,1,12-13H2,2-6H3 |
| InChI Key | GTBYKMVNBWUXSM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30N2O3 |
| Molecular Weight | 418.50 g/mol |
| Exact Mass | 418.22564282 g/mol |
| Topological Polar Surface Area (TPSA) | 69.70 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 4-Ethenyl-5-isocyano-4,9,9,20,20-pentamethyl-7-oxa-11-azahexacyclo[14.3.1.05,19.06,8.010,18.012,17]icosa-10,12,14,16-tetraene-18,19-diol](https://plantaedb.com/storage/docs/compounds/2023/11/fea89710-87dd-11ee-97a5-e955fdc17929.jpg "2D Structure of 4-Ethenyl-5-isocyano-4,9,9,20,20-pentamethyl-7-oxa-11-azahexacyclo[14.3.1.05,19.06,8.010,18.012,17]icosa-10,12,14,16-tetraene-18,19-diol")
| 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 | 93.21% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.11% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 88.58% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.66% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.17% | 96.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.57% | 80.96% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.12% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.89% | 95.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 85.78% | 96.39% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.07% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.18% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.64% | 97.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 81.48% | 96.25% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.19% | 97.33% |
| CHEMBL5028 | O14672 | ADAM10 | 81.03% | 97.50% |
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 | 163191218 |
| LOTUS | LTS0213383 |
| wikiData | Q104167460 |