Debilisone C
Internal ID | 4ee08ae2-4220-4223-874c-6c27f5a33e67 |
Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
IUPAC Name | (3S,5S)-5-(hydroxymethyl)-3-[(E)-icos-15-en-11,13-diynyl]oxolan-2-one |
SMILES (Canonical) | CCCCC=CC#CC#CCCCCCCCCCCC1CC(OC1=O)CO |
SMILES (Isomeric) | CCCC/C=C/C#CC#CCCCCCCCCCC[C@H]1C[C@H](OC1=O)CO |
InChI | InChI=1S/C25H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21-24(22-26)28-25(23)27/h5-6,23-24,26H,2-4,11-22H2,1H3/b6-5+/t23-,24-/m0/s1 |
InChI Key | BNUXTDGKOZEKSI-PESMWXFUSA-N |
Popularity | 2 references in papers |
Molecular Formula | C25H38O3 |
Molecular Weight | 386.60 g/mol |
Exact Mass | 386.28209507 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 7.90 |
CHEMBL1215989 |
![2D Structure of Debilisone C 2D Structure of Debilisone C](https://plantaedb.com/storage/docs/compounds/2023/11/debilisone-c.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 |
---|---|---|---|---|
CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.21% | 89.63% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 94.20% | 97.79% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.50% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.54% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.44% | 91.11% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.68% | 95.58% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.35% | 97.09% |
CHEMBL299 | P17252 | Protein kinase C alpha | 88.06% | 98.03% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.61% | 92.86% |
CHEMBL2581 | P07339 | Cathepsin D | 86.31% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.74% | 94.45% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.61% | 89.34% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.79% | 92.08% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.34% | 95.56% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.51% | 100.00% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.17% | 92.88% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.87% | 89.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.64% | 96.00% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.63% | 97.29% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.60% | 95.89% |
CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.46% | 91.81% |
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.
Polyalthia debilis |
PubChem | 46919582 |
LOTUS | LTS0060867 |
wikiData | Q104939036 |