3-[5-[(5-acetyloxy-2-hydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
| Internal ID | e6a60032-9940-4f3f-a8cc-49340a44887c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | 3-[5-[(5-acetyloxy-2-hydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid |
| SMILES (Canonical) | CC1CCC2(C(C1(C)CC3=C(C(=CC(=C3)OC(=O)C)C)O)CCC(=C(C)C)C2CCC(=O)O)C |
| SMILES (Isomeric) | CC1CCC2(C(C1(C)CC3=C(C(=CC(=C3)OC(=O)C)C)O)CCC(=C(C)C)C2CCC(=O)O)C |
| InChI | InChI=1S/C29H42O5/c1-17(2)23-8-10-25-28(6,24(23)9-11-26(31)32)13-12-19(4)29(25,7)16-21-15-22(34-20(5)30)14-18(3)27(21)33/h14-15,19,24-25,33H,8-13,16H2,1-7H3,(H,31,32) |
| InChI Key | GLMZLVIDTWFRNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H42O5 |
| Molecular Weight | 470.60 g/mol |
| Exact Mass | 470.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of 3-[5-[(5-acetyloxy-2-hydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/05a652c0-8560-11ee-88bb-956a5ee2b962.jpg "2D Structure of 3-[5-[(5-acetyloxy-2-hydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid")
| 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 | 98.85% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.43% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.24% | 98.95% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 91.49% | 97.53% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.73% | 99.15% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.14% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.19% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.42% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.81% | 94.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.62% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.34% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.28% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.81% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.38% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.31% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.82% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 80.65% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.21% | 90.71% |
| CHEMBL5285 | Q99683 | Mitogen-activated protein kinase kinase kinase 5 | 80.10% | 92.26% |
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.
| There are no matching plants. |
| PubChem | 162879154 |
| LOTUS | LTS0193901 |
| wikiData | Q105011103 |