Skimmianine
| Internal ID | 1ccaddcb-6418-42ef-84ab-79781ba1da1f |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Furanoquinolines |
| IUPAC Name | 4,7,8-trimethoxyfuro[2,3-b]quinoline |
| SMILES (Canonical) | COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC |
| InChI | InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3 |
| InChI Key | SLSIBLKBHNKZTB-UHFFFAOYSA-N |
| Popularity | 519 references in papers |
| Molecular Formula | C14H13NO4 |
| Molecular Weight | 259.26 g/mol |
| Exact Mass | 259.08445790 g/mol |
| Topological Polar Surface Area (TPSA) | 53.70 Ų |
| XlogP | 2.80 |
| 83-95-4 |
| Skimmianin |
| 4,7,8-Trimethoxyfuro[2,3-b]quinoline |
| Chloroxylonine |
| Skimmiamine |
| .beta.-Fagarine |
| beta-Fagarine |
| Furo[2,3-b]quinoline, 4,7,8-trimethoxy- |
| CCRIS 1585 |
| CHEBI:9172 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] |
14125.4 nM 14125.4 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL3577 | P00352 | Aldehyde dehydrogenase 1A1 |
28183.8 nM 31622.8 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL4096 | P04637 | Cellular tumor antigen p53 |
25118.9 nM |
Potency |
via CMAUP
|
| CHEMBL3356 | P05177 | Cytochrome P450 1A2 |
79.43 nM |
AC50 |
via CMAUP
|
| CHEMBL3622 | P33261 | Cytochrome P450 2C19 |
10000 nM |
Potency |
via CMAUP
|
| CHEMBL289 | P10635 | Cytochrome P450 2D6 |
19952.6 nM |
Potency |
via CMAUP
|
| CHEMBL340 | P08684 | Cytochrome P450 3A4 |
7943.3 nM 12589.3 nM 7943.3 nM 12589.3 nM |
Potency Potency Potency Potency |
via CMAUP
via CMAUP via CMAUP via CMAUP |
| CHEMBL4159 | Q99714 | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein |
12589.3 nM 12589.3 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1293226 | B2RXH2 | Lysine-specific demethylase 4D-like |
14125.4 nM 12589.3 nM |
Potency Potency |
via CMAUP
via CMAUP |
| CHEMBL1293235 | P02545 | Prelamin-A/C |
3162.3 nM |
Potency |
via CMAUP
|
| CHEMBL1963 | P16473 | Thyroid stimulating hormone receptor |
7943.3 nM |
Potency |
via CMAUP
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.06% | 94.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 91.96% | 94.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.36% | 96.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 91.30% | 95.12% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.54% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.58% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.20% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.22% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.96% | 83.82% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.43% | 96.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.37% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.14% | 86.33% |
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.
| PubChem | 6760 |
| NPASS | NPC34770 |
| ChEMBL | CHEMBL21396 |
| LOTUS | LTS0091404 |
| wikiData | Q27108296 |