(4,4,6a,6a,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | ceb3e122-72ed-4c4e-8d7d-2f31d31a24f0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Scalarane sesterterpenoids |
| IUPAC Name | (4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl) 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)OC(=O)C=CC6=CC=C(C=C6)O)(C)C)C)C)C |
| SMILES (Isomeric) | CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)OC(=O)C=CC6=CC=C(C=C6)O)(C)C)C)C)C |
| InChI | InChI=1S/C39H56O3/c1-34(2)23-24-36(5)19-15-29-38(7)20-16-28-35(3,4)32(42-33(41)14-11-26-9-12-27(40)13-10-26)18-22-37(28,6)30(38)17-21-39(29,8)31(36)25-34/h9-15,28,30-32,40H,16-25H2,1-8H3 |
| InChI Key | FZPSABBXYRSWMG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H56O3 |
| Molecular Weight | 572.90 g/mol |
| Exact Mass | 572.42294564 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 11.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.09% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.11% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.55% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.57% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.19% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.50% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.95% | 89.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.06% | 97.64% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.74% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.38% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.16% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.86% | 89.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.78% | 91.07% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 81.20% | 91.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.15% | 98.95% |
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.
| Bruguiera cylindrica |
| Rhizophora mucronata |
| PubChem | 72738939 |
| LOTUS | LTS0233687 |
| wikiData | Q105005103 |