(2,8-Dimethyl-5-propan-2-yl-7-tricyclo[4.4.0.02,8]decanyl) 3-(4-hydroxyphenyl)prop-2-enoate

Details

Top
Internal ID 44862cbd-a715-43d1-b218-4a1e7c1bbbc0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (2,8-dimethyl-5-propan-2-yl-7-tricyclo[4.4.0.02,8]decanyl) 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)C1CCC2(C3C1C(C2(CC3)C)OC(=O)C=CC4=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
InChI Key PQZMZRVBJLKEFN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
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

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of (2,8-Dimethyl-5-propan-2-yl-7-tricyclo[4.4.0.02,8]decanyl) 3-(4-hydroxyphenyl)prop-2-enoate

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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%

Plants that contains it

Top
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.
Pilea cavaleriei

Cross-Links

Top
PubChem 75115565
LOTUS LTS0077447
wikiData Q105213554