Endolide D
| Internal ID | 9c102151-cc03-4deb-8348-edc6702c5244 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,6S,9S,12S)-3-benzyl-6,12-bis(furan-3-ylmethyl)-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H36N4O6/c1-19(2)26-30(38)34(4)24(15-21-10-12-39-17-21)27(35)31-23(14-20-8-6-5-7-9-20)29(37)33(3)25(28(36)32-26)16-22-11-13-40-18-22/h5-13,17-19,23-26H,14-16H2,1-4H3,(H,31,35)(H,32,36)/t23-,24-,25-,26-/m0/s1 |
| InChI Key | AJCBJCMHGIPZHI-CQJMVLFOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H36N4O6 |
| Molecular Weight | 548.60 g/mol |
| Exact Mass | 548.26348488 g/mol |
| Topological Polar Surface Area (TPSA) | 125.00 Ų |
| XlogP | 3.20 |
| RefChem:136785 |
| (3S,6S,9S,12S)-3-benzyl-6,12-bis(furan-3-ylmethyl)-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone |
| CHEBI:206078 |
| (3S,6S,9S,12S)-3-benzyl-6,12-bis(uran-3-ylmethyl)-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone |
| 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 | 99.36% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.46% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.01% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.83% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.53% | 90.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.50% | 90.08% |
| CHEMBL1949 | P62937 | Cyclophilin A | 89.31% | 98.57% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.75% | 93.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.52% | 97.64% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.12% | 89.67% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.24% | 98.59% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.19% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.99% | 89.00% |
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.
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| There are no matching plants. |
| PubChem | 139589637 |
| LOTUS | LTS0160665 |
| wikiData | Q104913090 |