(5R,10R,11R,12S,15R)-5,10,11,12-tetramethyl-3,8,14-trioxa-18-azatetracyclo[13.5.1.05,10.018,21]henicosa-1(21),19-diene-4,9,13,17-tetrone
Internal ID | f636e368-4cef-427c-854c-24e627d3eeb7 |
Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
IUPAC Name | (5R,10R,11R,12S,15R)-5,10,11,12-tetramethyl-3,8,14-trioxa-18-azatetracyclo[13.5.1.05,10.018,21]henicosa-1(21),19-diene-4,9,13,17-tetrone |
SMILES (Canonical) | CC1C(C2(C(=O)OCCC2(C(=O)OCC3=C4C(CC(=O)N4C=C3)OC1=O)C)C)C |
SMILES (Isomeric) | C[C@H]1[C@H]([C@]2(C(=O)OCC[C@]2(C(=O)OCC3=C4[C@@H](CC(=O)N4C=C3)OC1=O)C)C)C |
InChI | InChI=1S/C21H25NO7/c1-11-12(2)21(4)19(26)27-8-6-20(21,3)18(25)28-10-13-5-7-22-15(23)9-14(16(13)22)29-17(11)24/h5,7,11-12,14H,6,8-10H2,1-4H3/t11-,12+,14+,20-,21-/m0/s1 |
InChI Key | CZKKTPYDOANSIB-RXVKMGIGSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H25NO7 |
Molecular Weight | 403.40 g/mol |
Exact Mass | 403.16310214 g/mol |
Topological Polar Surface Area (TPSA) | 101.00 Ų |
XlogP | 1.40 |
There are no found synonyms. |
![2D Structure of (5R,10R,11R,12S,15R)-5,10,11,12-tetramethyl-3,8,14-trioxa-18-azatetracyclo[13.5.1.05,10.018,21]henicosa-1(21),19-diene-4,9,13,17-tetrone 2D Structure of (5R,10R,11R,12S,15R)-5,10,11,12-tetramethyl-3,8,14-trioxa-18-azatetracyclo[13.5.1.05,10.018,21]henicosa-1(21),19-diene-4,9,13,17-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/34e3b1c0-840c-11ee-9852-6501f3a94e4b.jpg)
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.04% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.66% | 96.09% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.82% | 93.40% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.26% | 97.25% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.44% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 89.82% | 98.95% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.87% | 96.77% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.09% | 85.14% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.76% | 94.80% |
CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 87.71% | 94.66% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.02% | 86.33% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.08% | 95.89% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.81% | 85.11% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.40% | 100.00% |
CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.65% | 88.56% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.40% | 100.00% |
CHEMBL4072 | P07858 | Cathepsin B | 80.58% | 93.67% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.57% | 95.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.09% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.03% | 97.09% |
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.
Senecio inaequidens |
PubChem | 163059097 |
LOTUS | LTS0107888 |
wikiData | Q104972852 |