Forskoditerpene A
| Internal ID | 3ee3c176-db6e-4130-b6ed-3186610c0027 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Carbocyclic fatty acids |
| IUPAC Name | (E)-3-[(1'R,4aR,8S,8aR)-4,4,7,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-cyclopropane]-1'-yl]but-2-enoic acid |
| SMILES (Canonical) | CC1=CCC2C(CCCC2(C13CC3C(=CC(=O)O)C)C)(C)C |
| SMILES (Isomeric) | CC1=CC[C@H]2[C@]([C@]13C[C@@H]3/C(=C/C(=O)O)/C)(CCCC2(C)C)C |
| InChI | InChI=1S/C20H30O2/c1-13(11-17(21)22)15-12-20(15)14(2)7-8-16-18(3,4)9-6-10-19(16,20)5/h7,11,15-16H,6,8-10,12H2,1-5H3,(H,21,22)/b13-11+/t15-,16-,19-,20-/m1/s1 |
| InChI Key | NLQNGKMQUWEKQY-XNNJJLOPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.60 |
| (E)-3-[(1'R,4aR,8S,8aR)-4,4,7,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,2'-cyclopropane]-1'-yl]but-2-enoic 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 | 94.24% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.66% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.12% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.63% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.77% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.32% | 94.75% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 83.08% | 91.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.99% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.37% | 93.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.04% | 95.50% |
| CHEMBL5028 | O14672 | ADAM10 | 81.17% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.33% | 89.00% |
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.
| Plectranthus barbatus |
| PubChem | 24795702 |
| LOTUS | LTS0268587 |
| wikiData | Q105181515 |