3-[5-[4-(3,3-Dimethyloxiran-2-yl)butan-2-yl]-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid
Internal ID | a44466c2-302a-4e31-8d35-d2e8bffd66ee |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 3-[5-[4-(3,3-dimethyloxiran-2-yl)butan-2-yl]-4,8-dimethyl-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid |
SMILES (Canonical) | CC(CCC1C(O1)(C)C)C2CCC3(C2(CCC45C3CCC(C4(C5)CCC(=O)O)C(=C)C)C)C |
SMILES (Isomeric) | CC(CCC1C(O1)(C)C)C2CCC3(C2(CCC45C3CCC(C4(C5)CCC(=O)O)C(=C)C)C)C |
InChI | InChI=1S/C30H48O3/c1-19(2)21-9-10-23-28(7)14-12-22(20(3)8-11-24-26(4,5)33-24)27(28,6)16-17-30(23)18-29(21,30)15-13-25(31)32/h20-24H,1,8-18H2,2-7H3,(H,31,32) |
InChI Key | UTGFMGGNDIKILM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H48O3 |
Molecular Weight | 456.70 g/mol |
Exact Mass | 456.36034539 g/mol |
Topological Polar Surface Area (TPSA) | 49.80 Ų |
XlogP | 8.40 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 97.28% | 96.61% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.48% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.28% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 94.10% | 98.95% |
CHEMBL237 | P41145 | Kappa opioid receptor | 90.82% | 98.10% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.28% | 91.19% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.93% | 89.05% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.47% | 93.00% |
CHEMBL236 | P41143 | Delta opioid receptor | 86.86% | 99.35% |
CHEMBL233 | P35372 | Mu opioid receptor | 86.85% | 97.93% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.84% | 94.45% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.12% | 83.82% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.49% | 93.56% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.09% | 100.00% |
CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 84.97% | 92.26% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 83.92% | 97.86% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.54% | 95.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.37% | 97.09% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.12% | 96.47% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.37% | 90.17% |
CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.19% | 100.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.18% | 96.95% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.02% | 97.50% |
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.
Kadsura coccinea |
PubChem | 163015726 |
LOTUS | LTS0218437 |
wikiData | Q105278754 |