(1R,2S,4S,5R,7S)-2-(2-hydroxypropyl)spiro[10-oxa-8-azatricyclo[5.4.0.04,8]undecane-5,3'-1H-indole]-2'-one
Internal ID | bfe48008-7e11-49b6-8de8-c98fb74f2037 |
Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indolines |
IUPAC Name | (1R,2S,4S,5R,7S)-2-(2-hydroxypropyl)spiro[10-oxa-8-azatricyclo[5.4.0.04,8]undecane-5,3'-1H-indole]-2'-one |
SMILES (Canonical) | CC(CC1CC2C3(CC4C1COCN24)C5=CC=CC=C5NC3=O)O |
SMILES (Isomeric) | CC(C[C@@H]1C[C@H]2[C@@]3(C[C@H]4[C@@H]1COCN24)C5=CC=CC=C5NC3=O)O |
InChI | InChI=1S/C19H24N2O3/c1-11(22)6-12-7-17-19(8-16-13(12)9-24-10-21(16)17)14-4-2-3-5-15(14)20-18(19)23/h2-5,11-13,16-17,22H,6-10H2,1H3,(H,20,23)/t11?,12-,13-,16+,17+,19-/m1/s1 |
InChI Key | PYNJMVMYCWTBLH-TVHUVIFXSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C19H24N2O3 |
Molecular Weight | 328.40 g/mol |
Exact Mass | 328.17869263 g/mol |
Topological Polar Surface Area (TPSA) | 61.80 Ų |
XlogP | 1.40 |
There are no found synonyms. |
![2D Structure of (1R,2S,4S,5R,7S)-2-(2-hydroxypropyl)spiro[10-oxa-8-azatricyclo[5.4.0.04,8]undecane-5,3'-1H-indole]-2'-one 2D Structure of (1R,2S,4S,5R,7S)-2-(2-hydroxypropyl)spiro[10-oxa-8-azatricyclo[5.4.0.04,8]undecane-5,3'-1H-indole]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/98a98810-85b6-11ee-b975-d54a47a1428a.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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.98% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.69% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.85% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.19% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.89% | 97.09% |
CHEMBL4208 | P20618 | Proteasome component C5 | 91.75% | 90.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.78% | 94.45% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.63% | 97.25% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.79% | 86.33% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.40% | 97.14% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.83% | 100.00% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.63% | 85.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.75% | 89.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.38% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.28% | 94.73% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.22% | 93.40% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.08% | 99.23% |
CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 80.04% | 95.48% |
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.
Alstonia angustifolia |
PubChem | 118715145 |
LOTUS | LTS0063524 |
wikiData | Q105216665 |