[(1S,2R,5S,6S,7R,8S)-2,8-dimethyl-5-propan-2-yl-7-tricyclo[4.4.0.02,8]decanyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Internal ID | 90c546fa-2e57-406e-9457-e72d549efa2b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
IUPAC Name | [(1S,2R,5S,6S,7R,8S)-2,8-dimethyl-5-propan-2-yl-7-tricyclo[4.4.0.02,8]decanyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC(C)C1CCC2(C3C1C(C2(CC3)C)OC(=O)C=CC4=CC=C(C=C4)O)C |
SMILES (Isomeric) | CC(C)[C@@H]1CC[C@@]2([C@@H]3[C@H]1[C@H]([C@]2(CC3)C)OC(=O)/C=C/C4=CC=C(C=C4)O)C |
InChI | InChI=1S/C24H32O3/c1-15(2)18-11-13-23(3)19-12-14-24(23,4)22(21(18)19)27-20(26)10-7-16-5-8-17(25)9-6-16/h5-10,15,18-19,21-22,25H,11-14H2,1-4H3/b10-7+/t18-,19-,21-,22+,23+,24+/m0/s1 |
InChI Key | PQZMZRVBJLKEFN-MEWNVRQFSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C24H32O3 |
Molecular Weight | 368.50 g/mol |
Exact Mass | 368.23514488 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 6.60 |
There are no found synonyms. |
![2D Structure of [(1S,2R,5S,6S,7R,8S)-2,8-dimethyl-5-propan-2-yl-7-tricyclo[4.4.0.02,8]decanyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate 2D Structure of [(1S,2R,5S,6S,7R,8S)-2,8-dimethyl-5-propan-2-yl-7-tricyclo[4.4.0.02,8]decanyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/dae5a140-861c-11ee-b1d5-d5791bc2d010.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 | 97.28% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.12% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.25% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.29% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.59% | 97.09% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 89.84% | 98.35% |
CHEMBL206 | P03372 | Estrogen receptor alpha | 89.45% | 97.64% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.43% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 89.29% | 98.95% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 87.87% | 97.79% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.01% | 95.89% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.57% | 94.75% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.60% | 100.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.11% | 100.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.60% | 90.00% |
CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 82.97% | 94.97% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.61% | 91.19% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.51% | 89.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.11% | 90.71% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.04% | 93.10% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.02% | 91.07% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.94% | 83.82% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.73% | 95.50% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.38% | 85.31% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.69% | 95.89% |
CHEMBL268 | P43235 | Cathepsin K | 80.41% | 96.85% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.40% | 93.56% |
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.
Pilea cavaleriei |
PubChem | 45483046 |
LOTUS | LTS0103259 |
wikiData | Q105213553 |