(1S,22S,23S,24S)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione
Internal ID | 40ad702f-f7f5-4a09-8944-6f26ab3b3646 |
Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
IUPAC Name | (1S,22S,23S,24S)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione |
SMILES (Canonical) | CN1CCC23C4C5C(=CC(=O)N4C6=C2C=CC=C6O)OCC=C(C1)C5(CC3=O)O |
SMILES (Isomeric) | CN1CC[C@@]23[C@@H]4[C@@H]5C(=CC(=O)N4C6=C2C=CC=C6O)OCC=C(C1)[C@@]5(CC3=O)O |
InChI | InChI=1S/C22H22N2O5/c1-23-7-6-21-13-3-2-4-14(25)19(13)24-17(27)9-15-18(20(21)24)22(28,10-16(21)26)12(11-23)5-8-29-15/h2-5,9,18,20,25,28H,6-8,10-11H2,1H3/t18-,20-,21+,22+/m0/s1 |
InChI Key | NDIBCEQFECLLFG-VXSCBNMQSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22N2O5 |
Molecular Weight | 394.40 g/mol |
Exact Mass | 394.15287181 g/mol |
Topological Polar Surface Area (TPSA) | 90.30 Ų |
XlogP | -1.00 |
There are no found synonyms. |
![2D Structure of (1S,22S,23S,24S)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione 2D Structure of (1S,22S,23S,24S)-15,22-dihydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,10,14(19),15,17-pentaene-12,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/97364770-8392-11ee-855a-abaff4285a2f.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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 96.99% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.93% | 96.09% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.80% | 93.99% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.75% | 93.40% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.36% | 95.56% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.51% | 99.23% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.51% | 91.11% |
CHEMBL204 | P00734 | Thrombin | 90.45% | 96.01% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.26% | 90.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.22% | 97.25% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.66% | 100.00% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.33% | 82.69% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.85% | 86.33% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.28% | 85.14% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.16% | 94.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.46% | 94.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.05% | 95.89% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.51% | 99.15% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.40% | 93.04% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.02% | 89.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.69% | 90.71% |
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.
Strychnos icaja |
PubChem | 162866782 |
LOTUS | LTS0266868 |
wikiData | Q105177559 |