Colletotric B
| Internal ID | 539dd88a-f548-4ed0-87aa-654941a01fee |
| Taxonomy | Phenylpropanoids and polyketides > Depsides and depsidones |
| IUPAC Name | (5-hydroxy-4-methoxycarbonyl-2,3-dimethylphenyl) 3-(2,4-dihydroxy-6-methylbenzoyl)oxy-5-methoxy-2,4,6-trimethylbenzoate |
| SMILES (Canonical) | CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2C)OC)C)C(=O)OC3=C(C(=C(C(=C3)O)C(=O)OC)C)C)C)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2C)OC)C)C(=O)OC3=C(C(=C(C(=C3)O)C(=O)OC)C)C)C)O)O |
| InChI | InChI=1S/C29H30O10/c1-12-9-18(30)10-19(31)22(12)28(34)39-26-16(5)23(15(4)25(36-7)17(26)6)29(35)38-21-11-20(32)24(27(33)37-8)14(3)13(21)2/h9-11,30-32H,1-8H3 |
| InChI Key | FNAYBWNVXASWIF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H30O10 |
| Molecular Weight | 538.50 g/mol |
| Exact Mass | 538.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | 6.80 |
| 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 | 95.52% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.27% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.92% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.97% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.32% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.32% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.25% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.24% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 84.42% | 90.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.01% | 90.93% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.97% | 93.65% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.77% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.19% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.40% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.32% | 96.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.76% | 81.11% |
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 | 146683484 |
| LOTUS | LTS0207745 |
| wikiData | Q104998192 |