CID 11843167
| Internal ID | 93f13581-da7e-474b-8638-5d3fcc717121 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (1R,18R,31S)-7,23,25-trihydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.01,17.03,16.04,13.06,11.017,22.024,29]hentriaconta-3(16),4(13),6(11),7,9,14,19,22,24(29),25,27-undecaene-5,12,21-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H22O8/c1-12-9-16-22(20(34)10-12)28(37)23-15(27(16)36)7-8-18-30(23)40-32-17-5-4-6-19(33)24(17)29(38)26-21(35)11-13(2)25(14(3)39-32)31(18,26)32/h4-11,14,25,33-34,38H,1-3H3/t14-,25-,31?,32+/m0/s1 |
| InChI Key | YDMUHLKWZINQFC-MFHOVDBWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H22O8 |
| Molecular Weight | 534.50 g/mol |
| Exact Mass | 534.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 4.60 |
| BDBM50478888 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.97% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.80% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.29% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.65% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.72% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.41% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.44% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.53% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.78% | 90.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.72% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.04% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.08% | 93.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.97% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.35% | 96.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.09% | 94.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.98% | 96.38% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.19% | 96.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.04% | 91.19% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.12% | 93.65% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.75% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.53% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.15% | 97.14% |
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 | 11843167 |
| LOTUS | LTS0088815 |
| wikiData | Q105346833 |