Austrocolorin A1
| Internal ID | bdd5b4ba-4aa9-4815-ade5-a77d186ca710 |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | (3S)-10-[(2S)-2,10-dihydroxy-5,7-dimethoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-3,9-dihydroxy-6,8-dimethoxy-3-methyl-2,4-dihydroanthracen-1-one |
| SMILES (Canonical) | CC1(CC2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2C(=O)C1)O)C4=C5CC(CC(=O)C5=C(C6=C4C=C(C=C6OC)OC)O)(C)O)O |
| SMILES (Isomeric) | C[C@@]1(CC2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2C(=O)C1)O)C4=C5C[C@](CC(=O)C5=C(C6=C4C=C(C=C6OC)OC)O)(C)O)O |
| InChI | InChI=1S/C34H34O10/c1-33(39)11-19-25(17-7-15(41-3)9-23(43-5)29(17)31(37)27(19)21(35)13-33)26-18-8-16(42-4)10-24(44-6)30(18)32(38)28-20(26)12-34(2,40)14-22(28)36/h7-10,37-40H,11-14H2,1-6H3/t33-,34-/m0/s1 |
| InChI Key | VVWGQJAVEGHWEP-HEVIKAOCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C34H34O10 |
| Molecular Weight | 602.60 g/mol |
| Exact Mass | 602.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 4.90 |
| (3S)-10-[(2S)-2,10-dihydroxy-5,7-dimethoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-3,9-dihydroxy-6,8-dimethoxy-3-methyl-2,4-dihydroanthracen-1-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 | 99.60% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.25% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.78% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.91% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.16% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.87% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.90% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.66% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.96% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.58% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.97% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.69% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.45% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.07% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.62% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.61% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.57% | 96.21% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.34% | 92.68% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.14% | 92.62% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.93% | 94.42% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.67% | 91.07% |
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.
| Aconitum transsectum |
| Mikania periplocifolia |
| PubChem | 21577360 |
| LOTUS | LTS0208186 |
| wikiData | Q104998145 |