Thamnosin
| Internal ID | 3e357d42-4cea-45f7-bc84-3e78c8aafbbd |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one |
| SMILES (Canonical) | CC1=CC(C(CC1)(C)C=CC2=C(C=C3C(=C2)C=CC(=O)O3)OC)C4=C(C=C5C(=C4)C=CC(=O)O5)OC |
| SMILES (Isomeric) | CC1=CC(C(CC1)(C)/C=C/C2=C(C=C3C(=C2)C=CC(=O)O3)OC)C4=C(C=C5C(=C4)C=CC(=O)O5)OC |
| InChI | InChI=1S/C30H28O6/c1-18-9-11-30(2,12-10-21-14-19-5-7-28(31)35-25(19)16-24(21)33-3)23(13-18)22-15-20-6-8-29(32)36-26(20)17-27(22)34-4/h5-8,10,12-17,23H,9,11H2,1-4H3/b12-10+ |
| InChI Key | SWGAQLQAABDHGT-ZRDIBKRKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H28O6 |
| Molecular Weight | 484.50 g/mol |
| Exact Mass | 484.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 6.10 |
| Cyclobisuberodiene |
| 7-methoxy-6-[(E)-2-[2-(7-methoxy-2-oxochromen-6-yl)-1,4-dimethylcyclohex-3-en-1-yl]ethenyl]chromen-2-one |
| 18458-66-7 |
| 7-Methoxy-6-[2-[2-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1,4-dimethyl-3-cyclohexen-1-yl]vinyl]-2H-1- |
| 2H-1-Benzopyran-2-one, 7-methoxy-6-[2-[2-(7-methoxy-2-oxo-2H-1-benzopyran-6-yl)-1,4-dimethyl-3-cyclohexen-1-yl]ethenyl]- |
| Coumarin, 6,6'-[(1,4-dimethyl-3-cyclohexen-1,2-ylene)vinylene]bis[7-methoxy-, (E)- |
| CHEBI:178188 |
| SWGAQLQAABDHGT-ZRDIBKRKSA-N |
| Coumarin, 6,6'-[(1,4-dimethyl-3-cyclohexen-1,2-ylene)vinylene]bis*7-methoxy-, (E)- |
| 7-Methoxy-6-(6-[(E)-2-(7-methoxy-2-oxo-2H-chromen-6-yl)ethenyl]-3,6-dimethyl-2-cyclohexen-1-yl)-2H-chromen-2-one # |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.99% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.60% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.96% | 94.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 92.85% | 85.30% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.51% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.34% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.51% | 94.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.92% | 85.49% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 84.53% | 98.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.30% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.21% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.13% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.79% | 92.94% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.61% | 89.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.43% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.79% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.78% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.70% | 100.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.55% | 94.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.47% | 95.89% |
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.
| Citrus maxima |
| Thamnosma montana |
| PubChem | 5377043 |
| LOTUS | LTS0141363 |
| wikiData | Q105262639 |