58-(Diaminomethylideneamino)-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxyoctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid
| Internal ID | 306f9d0c-3206-4103-9830-0dd720c07abd |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids |
| IUPAC Name | 58-(diaminomethylideneamino)-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxyoctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid |
| SMILES (Canonical) | CC(C=CCCC=CC=CC=C(C)C(=O)O)C(C(C)C(C=CC=CC=CC=CC=CC=CCC(C(C)C(=O)CC(CC(C=CCC(CC(CC(C=CCC(CC(C=CCC(CC(CCCN=C(N)N)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O)O)O |
| SMILES (Isomeric) | CC(C=CCCC=CC=CC=C(C)C(=O)O)C(C(C)C(C=CC=CC=CC=CC=CC=CCC(C(C)C(=O)CC(CC(C=CCC(CC(CC(C=CCC(CC(C=CCC(CC(CCCN=C(N)N)O)O)O)O)O)O)O)O)O)OS(=O)(=O)O)O)O |
| InChI | InChI=1S/C63H99N3O18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(79)80)61(78)48(4)58(76)36-21-17-13-8-6-5-7-9-14-18-22-37-60(84-85(81,82)83)47(3)59(77)44-57(75)43-54(72)34-25-33-53(71)42-56(74)41-52(70)32-24-31-50(68)39-49(67)29-23-30-51(69)40-55(73)35-26-38-66-63(64)65/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,67-76,78H,11,15,26,30-31,33,35,37-44H2,1-4H3,(H,79,80)(H4,64,65,66)(H,81,82,83) |
| InChI Key | OQRILZSNZMAVTK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C63H99N3O18S |
| Molecular Weight | 1218.50 g/mol |
| Exact Mass | 1217.66443449 g/mol |
| Topological Polar Surface Area (TPSA) | 413.00 Ų |
| XlogP | 4.00 |
| 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 | 98.22% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.81% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 96.78% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.14% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 91.83% | 98.75% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 91.45% | 95.52% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.05% | 99.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.54% | 96.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.07% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.62% | 100.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 87.75% | 95.69% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 86.44% | 97.88% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.95% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.79% | 91.19% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.38% | 92.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.31% | 100.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 85.27% | 96.25% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.54% | 82.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.04% | 94.45% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 82.67% | 96.03% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.56% | 92.32% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.39% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.30% | 94.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.14% | 96.21% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.39% | 97.21% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.38% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.29% | 96.61% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.02% | 97.29% |
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 | 77916011 |
| LOTUS | LTS0134498 |
| wikiData | Q104193637 |