6-(3-Hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12-hexahydrocyclopenta[a]phenanthren-17-ylidene)-2-methyl-4-oxoheptanoic acid
| Internal ID | dae4cb36-20ec-4f9c-b636-7417498fbdc4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 6-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12-hexahydrocyclopenta[a]phenanthren-17-ylidene)-2-methyl-4-oxoheptanoic acid |
| SMILES (Canonical) | CC(CC(=O)CC(=C1CC(=O)C2(C1(CC(=O)C3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C)C)C(=O)O |
| SMILES (Isomeric) | CC(CC(=O)CC(=C1CC(=O)C2(C1(CC(=O)C3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C)C)C(=O)O |
| InChI | InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h16,21-22,34H,8-14H2,1-7H3,(H,36,37) |
| InChI Key | FWDQERNWSKUHAW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40O7 |
| Molecular Weight | 512.60 g/mol |
| Exact Mass | 512.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 6-(3-Hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12-hexahydrocyclopenta[a]phenanthren-17-ylidene)-2-methyl-4-oxoheptanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/e6d736d0-85e5-11ee-b655-a15b4e2e92cf.jpg "2D Structure of 6-(3-Hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12-hexahydrocyclopenta[a]phenanthren-17-ylidene)-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.93% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.45% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.59% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.25% | 96.09% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 91.21% | 88.84% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.09% | 82.69% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.14% | 85.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.68% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.06% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.22% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.02% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.79% | 99.23% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.63% | 96.38% |
| CHEMBL5028 | O14672 | ADAM10 | 85.21% | 97.50% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 84.91% | 95.42% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.76% | 91.19% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.74% | 85.30% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.14% | 83.82% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.88% | 94.75% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.20% | 97.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.16% | 98.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.10% | 93.56% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.38% | 98.10% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.09% | 93.04% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.36% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.01% | 93.03% |
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 | 163077000 |
| LOTUS | LTS0070488 |
| wikiData | Q104166841 |