Asticolorin B
| Internal ID | 1c58cf0e-69f9-48bf-8946-14aa4d50a317 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | (1R,16S,27S,31R)-6,16,24-trihydroxy-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.02,14.04,12.05,10.018,26.020,25.027,31]hentriaconta-2(14),3,5,7,9,12,18(26),20,22,24,29-undecaen-17-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H28O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30,34-35,37H,12H2,1-5H3/t17-,30+,32+,33-/m0/s1 |
| InChI Key | QPGYUCLUVQROTF-AYBPZWEFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H28O7 |
| Molecular Weight | 536.60 g/mol |
| Exact Mass | 536.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 6.80 |
| CHEBI:169237 |
| (1R,16S,27S,31R)-6,16,24-trihydroxy-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.02,14.04,12.05,10.018,26.020,25.027,31]hentriaconta-2(14),3,5,7,9,12,18(26),20,22,24,29-undecaen-17-one |
| 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 | 98.31% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.31% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.80% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.47% | 99.23% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.69% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.10% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.72% | 93.40% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.12% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.85% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.34% | 91.19% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.61% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.14% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.00% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.78% | 94.42% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.07% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.03% | 97.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.85% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.47% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.41% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.41% | 94.75% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.92% | 91.24% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.63% | 86.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.01% | 94.80% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.93% | 92.94% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.79% | 91.38% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.76% | 96.00% |
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 | 101982327 |
| LOTUS | LTS0051999 |
| wikiData | Q105225383 |