Haplofungin B
| Internal ID | dc9b01cd-8f49-4618-b847-2f1125089066 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols |
| IUPAC Name | 2,3,4-trihydroxy-5-[(E)-13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoyl]oxypentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H60O9/c1-6-7-8-9-10-11-12-13-14-18-27(34)19-16-15-17-23(2)20-24(3)21-25(4)29(36)26(5)33(41)42-22-28(35)30(37)31(38)32(39)40/h21,23-24,26-28,30-31,34-35,37-38H,6-20,22H2,1-5H3,(H,39,40)/b25-21+ |
| InChI Key | CPRGEMSWDNWWNZ-NJNXFGOHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H60O9 |
| Molecular Weight | 600.80 g/mol |
| Exact Mass | 600.42373349 g/mol |
| Topological Polar Surface Area (TPSA) | 162.00 Ų |
| XlogP | 7.80 |
| 2,3,4-trihydroxy-5-[(E)-13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoyl]oxypentanoic acid |
| 2,3,4-Trihydroxy-5-(((4E)-13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoyl)oxy)pentanoate |
| 2,3,4-trihydroxy-5-((E)-13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoyl)oxypentanoic acid |
| 2,3,4-Trihydroxy-5-{[(4E)-13-hydroxy-2,4,6,8-tetramethyl-3-oxotetracos-4-enoyl]oxy}pentanoate |
| RefChem:145241 |
| CHEBI:198664 |
| 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 | 97.86% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.82% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.31% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.61% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.56% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.98% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.20% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.89% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.22% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.69% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.90% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.67% | 90.71% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.46% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.44% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.38% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.88% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.76% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.66% | 97.21% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.52% | 82.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.32% | 96.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.87% | 87.45% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.65% | 94.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.38% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.20% | 91.19% |
| CHEMBL236 | P41143 | Delta opioid receptor | 81.20% | 99.35% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 80.50% | 97.43% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.39% | 93.31% |
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.
| There are no matching plants. |
| PubChem | 9873488 |
| LOTUS | LTS0239579 |
| wikiData | Q75062658 |