Madolin A
| Internal ID | d0523c70-24fa-48ed-9700-df63fe6cb41a |
| Taxonomy | Organoheterocyclic compounds > Epoxides |
| IUPAC Name | (1R,4R,6R,9E,11S)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene-9-carbaldehyde |
| SMILES (Canonical) | CC1(C2C1C=C(CCC3C(O3)(CC2)C)C=O)C |
| SMILES (Isomeric) | C[C@@]12CC[C@@H]3[C@@H](C3(C)C)/C=C(\CC[C@H]1O2)/C=O |
| InChI | InChI=1S/C15H22O2/c1-14(2)11-6-7-15(3)13(17-15)5-4-10(9-16)8-12(11)14/h8-9,11-13H,4-7H2,1-3H3/b10-8+/t11-,12+,13-,15-/m1/s1 |
| InChI Key | ZWFIFCRKFITASO-IVYHSSSVSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 29.60 Ų |
| XlogP | 2.60 |
| (+)-Madolin A |
| WE7GW30253 |
| 205371-29-5 |
| 5-Oxatricyclo(9.1.0.04,6)dodec-9-ene-9-carboxaldehyde, 4,12,12-trimethyl-, (1R,4R,6R,9E,11S)- |
| UNII-WE7GW30253 |
| CHEMBL1224785 |
| Q27292587 |
| 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 | 94.69% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.51% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.40% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.37% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.22% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.97% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.51% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.71% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.58% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.56% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.91% | 97.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.28% | 90.24% |
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.
| Aristolochia cucurbitifolia |
| Aristolochia kaempferi |
| Aristolochia mollissima |
| PubChem | 10561685 |
| LOTUS | LTS0092838 |
| wikiData | Q27292587 |