[(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 7b0680f8-6ee7-46d1-8e69-7e0190cd05a2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | [(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC(C)C1CCC2(CCCC(=C)C2C1OC(=O)C=CC3=CC=C(C=C3)O)C |
| SMILES (Isomeric) | CC(C)[C@@H]1CC[C@]2(CCCC(=C)[C@@H]2[C@H]1OC(=O)C=CC3=CC=C(C=C3)O)C |
| InChI | InChI=1S/C24H32O3/c1-16(2)20-13-15-24(4)14-5-6-17(3)22(24)23(20)27-21(26)12-9-18-7-10-19(25)11-8-18/h7-12,16,20,22-23,25H,3,5-6,13-15H2,1-2,4H3/t20-,22+,23-,24+/m0/s1 |
| InChI Key | IIZXOWSEQGPRRJ-KELGSRBJSA-N |
| Popularity | 0 references 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 | 6.50 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] 3-(4-hydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b898fe60-8411-11ee-8385-476e7c3e03f9.jpg "2D Structure of [(1S,2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] 3-(4-hydroxyphenyl)prop-2-enoate")
| 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 | 97.48% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.67% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.13% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.29% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.82% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.06% | 98.95% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 88.96% | 97.64% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.87% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.57% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.51% | 86.33% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.33% | 98.35% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 86.81% | 97.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.65% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.57% | 93.99% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.08% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.42% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.28% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.83% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.55% | 91.19% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.14% | 93.10% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.96% | 93.56% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.29% | 94.97% |
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.
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| There are no matching plants. |
| PubChem | 163040565 |
| LOTUS | LTS0079875 |
| wikiData | Q105113857 |