(1S,3S,4Z,8R,10R,11R)-4-ethylidene-8-[4-methoxy-2-(methoxyamino)phenyl]-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one
Internal ID | d262ff37-e614-4ed0-8ae1-a3d53bdd0fe7 |
Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Phenylpyrrolidines |
IUPAC Name | (1S,3S,4Z,8R,10R,11R)-4-ethylidene-8-[4-methoxy-2-(methoxyamino)phenyl]-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one |
SMILES (Canonical) | CC=C1CN2C3CC(C2=O)(C4CC1C3CO4)C5=C(C=C(C=C5)OC)NOC |
SMILES (Isomeric) | C/C=C/1\CN2[C@@H]3C[C@](C2=O)([C@@H]4C[C@H]1[C@H]3CO4)C5=C(C=C(C=C5)OC)NOC |
InChI | InChI=1S/C21H26N2O4/c1-4-12-10-23-18-9-21(20(23)24,19-8-14(12)15(18)11-27-19)16-6-5-13(25-2)7-17(16)22-26-3/h4-7,14-15,18-19,22H,8-11H2,1-3H3/b12-4+/t14-,15-,18-,19+,21-/m1/s1 |
InChI Key | TWUIIOHPTBVCEV-MQVPABHZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H26N2O4 |
Molecular Weight | 370.40 g/mol |
Exact Mass | 370.18925731 g/mol |
Topological Polar Surface Area (TPSA) | 60.00 Ų |
XlogP | 1.80 |
There are no found synonyms. |
![2D Structure of (1S,3S,4Z,8R,10R,11R)-4-ethylidene-8-[4-methoxy-2-(methoxyamino)phenyl]-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one 2D Structure of (1S,3S,4Z,8R,10R,11R)-4-ethylidene-8-[4-methoxy-2-(methoxyamino)phenyl]-13-oxa-6-azatetracyclo[6.5.0.03,11.06,10]tridecan-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/f6c63dd0-879a-11ee-9e82-dd534ffd6761.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 |
---|---|---|---|---|
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.58% | 93.40% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.75% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.48% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.58% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.73% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 91.63% | 98.95% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.81% | 97.14% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.80% | 96.77% |
CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.50% | 91.03% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.97% | 94.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.46% | 90.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.79% | 86.33% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.93% | 91.07% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.33% | 80.96% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.58% | 96.00% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.15% | 83.57% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.43% | 90.71% |
CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.20% | 94.66% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.73% | 91.19% |
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.
Gelsemium elegans |
PubChem | 14262387 |
LOTUS | LTS0135583 |
wikiData | Q105266121 |