Monoacetylgraclliformin
| Internal ID | 67ecdcf5-aba1-4ca7-a395-e6c10d8ea6ec |
| Taxonomy | Benzenoids > Naphthalenes > Naphthols and derivatives |
| IUPAC Name | [(1R,13R,15R,16R)-8,10,23,25,28-pentahydroxy-6,21-dimethyl-3,12,18,27-tetraoxo-14-octacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,10,19(24),20,22,25-octaenyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H24O11/c1-8-4-11-15(13(34)6-8)23(36)19-26(39)21-25(38)17-18-28(43-10(3)33)22(31(17,19)29(11)41)27(40)20-24(37)16-12(30(42)32(18,20)21)5-9(2)7-14(16)35/h4-7,17-18,21-22,25,28,34-38H,1-3H3/t17-,18-,21+,22-,25?,28?,31?,32?/m0/s1 |
| InChI Key | MKBFGRKXGKBEGT-MILMEHLDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H24O11 |
| Molecular Weight | 584.50 g/mol |
| Exact Mass | 584.13186158 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
| 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 | 95.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.41% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.11% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.61% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.41% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.30% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.59% | 97.21% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.77% | 94.80% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.44% | 96.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.37% | 94.45% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.65% | 91.07% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.82% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.82% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.69% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.45% | 94.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.05% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.95% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.50% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.75% | 96.95% |
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 | 139586477 |
| LOTUS | LTS0130517 |
| wikiData | Q105165802 |