14-Angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol
| Internal ID | a0ceecbc-10c9-4f05-8733-717665f6f1d2 |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | [(1aR,2S,7R,7aS)-5-acetyl-2,4-dihydroxy-3-methoxy-7-methyl-1a,2,7,7a-tetrahydronaphtho[6,7-b]oxiren-6-yl]methyl (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OCC1=C2C(C3C(O3)C(C2=C(C(=C1C(=O)C)O)OC)O)C |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)OCC1=C2[C@H]([C@H]3[C@H](O3)[C@H](C2=C(C(=C1C(=O)C)O)OC)O)C |
| InChI | InChI=1S/C20H24O7/c1-6-8(2)20(24)26-7-11-12-9(3)17-19(27-17)16(23)14(12)18(25-5)15(22)13(11)10(4)21/h6,9,16-17,19,22-23H,7H2,1-5H3/b8-6-/t9-,16+,17+,19-/m1/s1 |
| InChI Key | MTYVORPSHXIKQD-GTNOQCDASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H24O7 |
| Molecular Weight | 376.40 g/mol |
| Exact Mass | 376.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 1.90 |
| 14-angeloyloxy-2alpha,3alpha-epoxy-1beta-hydroxydeltonorcacalol |
| CHEMBL1641931 |
| Q27138933 |
| 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 | 97.06% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.22% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.75% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.62% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.64% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.41% | 85.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.09% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.40% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.52% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.22% | 99.23% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.99% | 95.64% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.86% | 97.21% |
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.
| Parasenecio deltophyllus |
| PubChem | 50901252 |
| LOTUS | LTS0093606 |
| wikiData | Q27138933 |