[8-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] tetradecanoate
Internal ID | 62e9720e-eb8b-4ab3-9f48-e8b7b1b65248 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | [8-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] tetradecanoate |
SMILES (Canonical) | CCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=CCC5(C(CC4(C3(CCC2C1(C)C)C)C)O)C)CO)C)C |
SMILES (Isomeric) | CCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=CCC5(C(CC4(C3(CCC2C1(C)C)C)C)O)C)CO)C)C |
InChI | InChI=1S/C44H76O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-38(47)48-37-25-27-41(5)34(40(37,3)4)24-28-43(7)35(41)22-21-33-39-31(2)32(30-45)23-26-42(39,6)36(46)29-44(33,43)8/h23,31,33-37,39,45-46H,9-22,24-30H2,1-8H3 |
InChI Key | YMKMEQYZRHIICF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C44H76O4 |
Molecular Weight | 669.10 g/mol |
Exact Mass | 668.57436090 g/mol |
Topological Polar Surface Area (TPSA) | 66.80 Ų |
XlogP | 13.10 |
There are no found synonyms. |
![2D Structure of [8-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] tetradecanoate 2D Structure of [8-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,12,14b-heptamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] tetradecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/25b6c980-85f1-11ee-ba9f-4bf14ee1e351.jpg)
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.30% | 96.09% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 97.51% | 97.79% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.15% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 96.14% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.24% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.24% | 94.45% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.60% | 92.86% |
CHEMBL299 | P17252 | Protein kinase C alpha | 92.34% | 98.03% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.73% | 99.17% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.52% | 100.00% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.33% | 100.00% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.63% | 96.61% |
CHEMBL1871 | P10275 | Androgen Receptor | 89.56% | 96.43% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.23% | 82.69% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.97% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.45% | 97.09% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.38% | 100.00% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.37% | 92.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.74% | 86.33% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.05% | 97.29% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.83% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.54% | 92.94% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.03% | 82.50% |
CHEMBL5028 | O14672 | ADAM10 | 81.72% | 97.50% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.56% | 95.50% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.37% | 92.62% |
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.
Arnica lonchophylla |
PubChem | 163016741 |
LOTUS | LTS0215333 |
wikiData | Q105350584 |