3-[9-hydroxy-3-(5-methoxy-5-oxopentan-2-yl)-3a,6,9b-trimethyl-5-oxo-7-prop-1-en-2-yl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid
| Internal ID | c0d79480-decf-43c1-9daa-502e7778950e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 3-[9-hydroxy-3-(5-methoxy-5-oxopentan-2-yl)-3a,6,9b-trimethyl-5-oxo-7-prop-1-en-2-yl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H42O6/c1-16(2)19-14-20(29)25-24(26(19,4)12-11-22(31)32)21(30)15-28(6)18(10-13-27(25,28)5)17(3)8-9-23(33)34-7/h17-20,29H,1,8-15H2,2-7H3,(H,31,32) |
| InChI Key | XXRAHMQIWCNBKA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H42O6 |
| Molecular Weight | 474.60 g/mol |
| Exact Mass | 474.29813906 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 3-[9-hydroxy-3-(5-methoxy-5-oxopentan-2-yl)-3a,6,9b-trimethyl-5-oxo-7-prop-1-en-2-yl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/386b7300-86d3-11ee-b648-37a7d5a80484.jpg "2D Structure of 3-[9-hydroxy-3-(5-methoxy-5-oxopentan-2-yl)-3a,6,9b-trimethyl-5-oxo-7-prop-1-en-2-yl-2,3,4,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-6-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.46% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.71% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.98% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.92% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.61% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.81% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.20% | 85.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.38% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.10% | 91.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.73% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.50% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.23% | 94.33% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.64% | 98.10% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.65% | 96.90% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.03% | 99.23% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.85% | 93.04% |
| CHEMBL5028 | O14672 | ADAM10 | 82.81% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.74% | 93.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.57% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.10% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.78% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.07% | 89.50% |
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 | 163064741 |
| LOTUS | LTS0209735 |
| wikiData | Q104201432 |