Halymecin F
| Internal ID | 377982a1-9d5d-45f1-a281-0ab26ff6c900 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Rhamnolipids |
| IUPAC Name | (3R,5R)-5-[(3R,5R)-3-acetyloxy-5-[(3R,5R)-5-[(3R,5R)-5-acetyloxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydecanoyl]oxy-3-hydroxydecanoyl]oxydecanoyl]oxy-3-hydroxydecanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H88O20/c1-7-11-15-19-36(23-34(54)25-43(56)57)66-45(59)29-40(65-33(6)53)28-39(22-18-14-10-4)68-44(58)26-35(55)24-37(20-16-12-8-2)67-46(60)30-41(27-38(64-32(5)52)21-17-13-9-3)69-50-49(63)48(62)47(61)42(31-51)70-50/h34-42,47-51,54-55,61-63H,7-31H2,1-6H3,(H,56,57)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,47-,48+,49+,50-/m1/s1 |
| InChI Key | FLWMIXBALDGGQL-FQHOZYHASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C50H88O20 |
| Molecular Weight | 1009.20 g/mol |
| Exact Mass | 1008.58689519 g/mol |
| Topological Polar Surface Area (TPSA) | 309.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
| 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 | 98.55% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.46% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.27% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.82% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.55% | 92.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.20% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.82% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.10% | 96.47% |
| CHEMBL3776 | Q14790 | Caspase-8 | 89.08% | 97.06% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.56% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.71% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.57% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.85% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.30% | 98.75% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.90% | 82.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.35% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.86% | 96.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.52% | 92.86% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.49% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.82% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.81% | 97.25% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.25% | 97.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.98% | 92.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.72% | 97.21% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.55% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.17% | 95.50% |
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 | 102141977 |
| LOTUS | LTS0085025 |
| wikiData | Q77379267 |