6-(3,7-Dihydroxy-4,4,10,13-tetramethyl-11,15-dioxo-1,2,3,5,6,7,12,14,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid
| Internal ID | 6c59a07a-d88d-4981-ba76-519d6710be5e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 6-(3,7-dihydroxy-4,4,10,13-tetramethyl-11,15-dioxo-1,2,3,5,6,7,12,14,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H42O7/c1-14(9-16(30)10-15(2)26(35)36)17-11-19(32)24-23-18(31)12-21-27(3,4)22(34)7-8-28(21,5)25(23)20(33)13-29(17,24)6/h14-15,17-18,21-22,24,31,34H,7-13H2,1-6H3,(H,35,36) |
| InChI Key | JLFXEDLGDDWQPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H42O7 |
| Molecular Weight | 502.60 g/mol |
| Exact Mass | 502.29305367 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 6-(3,7-Dihydroxy-4,4,10,13-tetramethyl-11,15-dioxo-1,2,3,5,6,7,12,14,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/19d172a0-85e7-11ee-9cca-714591ad125f.jpg "2D Structure of 6-(3,7-Dihydroxy-4,4,10,13-tetramethyl-11,15-dioxo-1,2,3,5,6,7,12,14,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic 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 | 97.51% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.33% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.95% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.37% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.86% | 97.25% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.17% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.11% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.84% | 96.38% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 89.71% | 88.84% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.38% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.24% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.10% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.40% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.60% | 91.19% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.67% | 98.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.47% | 100.00% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.27% | 95.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.17% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.08% | 89.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.14% | 96.37% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.04% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 80.65% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.01% | 93.56% |
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 | 13825013 |
| LOTUS | LTS0183331 |
| wikiData | Q105130697 |