Rhabdastrellic Acid-A
| Internal ID | 8405ad05-4203-4f78-a97a-faf68e75b00c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2E,4E,6E,8E,10E)-10-[(3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-2,7-dioxo-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic acid |
| SMILES (Canonical) | CC(=CC=CC(=C1C(=O)CC2C1(CCC3C2(CCC(=O)C3(C)C)C)C)C)C=CC=C(C)C(=O)O |
| SMILES (Isomeric) | C/C(=C\C=C\C(=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@@H]3[C@@]2(CCC(=O)C3(C)C)C)C)\C)/C=C/C=C(\C)/C(=O)O |
| InChI | InChI=1S/C30H40O4/c1-19(11-9-13-21(3)27(33)34)10-8-12-20(2)26-22(31)18-24-29(6)17-15-25(32)28(4,5)23(29)14-16-30(24,26)7/h8-13,23-24H,14-18H2,1-7H3,(H,33,34)/b11-9+,12-8+,19-10+,21-13+,26-20-/t23-,24-,29-,30-/m0/s1 |
| InChI Key | IIPLLKSCMYHUOP-YTGOKTRFSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C30H40O4 |
| Molecular Weight | 464.60 g/mol |
| Exact Mass | 464.29265975 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 7.10 |
| CHEMBL490565 |
| 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 | 94.87% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.21% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.74% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.46% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.82% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.18% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.65% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.02% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.41% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.14% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.41% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.16% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.28% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.97% | 82.69% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.56% | 85.30% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 80.28% | 91.67% |
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 | 21582592 |
| LOTUS | LTS0212181 |
| wikiData | Q105113682 |