6-[1-(4-Hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
Internal ID | e5b99a0b-2b39-4bc3-a35f-ec7344755481 |
Taxonomy | Benzenoids > Phenols > Methoxyphenols |
IUPAC Name | 6-[1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one |
SMILES (Canonical) | CC(=CC1=CC(=C(C=C1)O)OC)C2=NC3CC4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)OC |
SMILES (Isomeric) | CC(=CC1=CC(=C(C=C1)O)OC)C2=NC3CC4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)OC |
InChI | InChI=1S/C27H28N2O5/c1-15(10-16-8-9-22(30)23(11-16)32-2)25-17-12-24-27(13-20(28-25)18(17)14-34-24)19-6-4-5-7-21(19)29(33-3)26(27)31/h4-11,17-18,20,24,30H,12-14H2,1-3H3 |
InChI Key | IVPPDWPCTJHDMG-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H28N2O5 |
Molecular Weight | 460.50 g/mol |
Exact Mass | 460.19982200 g/mol |
Topological Polar Surface Area (TPSA) | 80.60 Ų |
XlogP | 2.90 |
There are no found synonyms. |
![2D Structure of 6-[1-(4-Hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one 2D Structure of 6-[1-(4-Hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one](https://plantaedb.com/storage/docs/compounds/2023/11/b9d242f0-84dd-11ee-b566-1322f9abee6b.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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.38% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.96% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.06% | 86.33% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 96.47% | 91.49% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.41% | 95.56% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.34% | 93.40% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.23% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.96% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.70% | 99.23% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.97% | 97.14% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.33% | 100.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.09% | 97.09% |
CHEMBL2535 | P11166 | Glucose transporter | 83.90% | 98.75% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.72% | 94.08% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.44% | 91.19% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.98% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 80.46% | 98.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.23% | 90.00% |
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 | 162942290 |
LOTUS | LTS0084265 |
wikiData | Q105121203 |