Indicanine C
| Internal ID | d02b2893-eb78-442c-9546-ea54054a3d0b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=O)C(=CO3)C4=CC=C(C=C4)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=O)C(=CO3)C4=CC=C(C=C4)O)C |
| InChI | InChI=1S/C21H18O5/c1-21(2)9-8-14-16(26-21)10-17-18(20(14)24-3)19(23)15(11-25-17)12-4-6-13(22)7-5-12/h4-11,22H,1-3H3 |
| InChI Key | GIVRDLOWBBXCNM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H18O5 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 3.70 |
| 7-(4-hydroxyphenyl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-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 | 98.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.98% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.80% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.46% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.37% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.01% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.16% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.15% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.10% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.07% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.85% | 94.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.58% | 97.14% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.18% | 98.35% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.62% | 95.53% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.21% | 93.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.90% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.64% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.29% | 98.75% |
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.
| Erythrina variegata |
| PubChem | 10736576 |
| LOTUS | LTS0111147 |
| wikiData | Q105009244 |