Triangulyne B
| Internal ID | e1e2c9a7-c1f6-4549-b5a5-dda109988fe4 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (8S,17Z,29E,31R)-tritriaconta-17,29-dien-2,4,6,32-tetrayne-1,8,31-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H48O3/c1-2-32(35)28-24-20-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-21-25-29-33(36)30-26-22-19-23-27-31-34/h1,6,8,24,28,32-36H,3-5,7,9-18,20-21,25,29,31H2/b8-6-,28-24+/t32-,33-/m0/s1 |
| InChI Key | OWUBELJGCSVHLJ-TUEHXAPJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H48O3 |
| Molecular Weight | 492.70 g/mol |
| Exact Mass | 492.36034539 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 9.10 |
| NSC693002 |
| CHEMBL460554 |
| NSC-693002 |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.50% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.50% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.55% | 98.95% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 89.37% | 95.58% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.72% | 97.93% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.01% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.01% | 96.09% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.53% | 99.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.24% | 93.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.19% | 87.45% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 81.28% | 92.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.48% | 100.00% |
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 | 5469811 |
| LOTUS | LTS0196029 |
| wikiData | Q105202298 |