(12R,16S)-9-methoxy-15-methylidene-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,5,7,9-tetraen-4-one
| Internal ID | b578bc02-d4e0-4e28-93ae-b24fa46d9381 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Difurocoumarins |
| IUPAC Name | (12R,16S)-9-methoxy-15-methylidene-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,5,7,9-tetraen-4-one |
| SMILES (Canonical) | COC1=C2C(=C3C(=C1)C=CC(=O)O3)C4C(O2)OCC4=C |
| SMILES (Isomeric) | COC1=C2C(=C3C(=C1)C=CC(=O)O3)[C@H]4[C@@H](O2)OCC4=C |
| InChI | InChI=1S/C15H12O5/c1-7-6-18-15-11(7)12-13-8(3-4-10(16)19-13)5-9(17-2)14(12)20-15/h3-5,11,15H,1,6H2,2H3/t11-,15+/m0/s1 |
| InChI Key | IDDJLWFUDAQMQK-XHDPSFHLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12O5 |
| Molecular Weight | 272.25 g/mol |
| Exact Mass | 272.06847348 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (12R,16S)-9-methoxy-15-methylidene-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,5,7,9-tetraen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/a874cd80-85c0-11ee-af7e-ef88ed03b5d2.jpg "2D Structure of (12R,16S)-9-methoxy-15-methylidene-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,5,7,9-tetraen-4-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 |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.47% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.85% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.33% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.25% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.75% | 91.11% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.66% | 94.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.21% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.19% | 92.62% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.31% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.09% | 90.71% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.39% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.23% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.74% | 93.99% |
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.
| Micromelum minutum |
| PubChem | 15480776 |
| LOTUS | LTS0221988 |
| wikiData | Q105111284 |