Marchantin A Trimethyl Ether
| Internal ID | 2471c4bc-6ca5-4a4b-86cc-ad4c67fb54ad |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 4,5,17-trimethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H30O5/c1-32-27-9-5-7-24-15-12-21-13-16-25(17-14-21)35-29-20-23(19-28(33-2)31(29)34-3)11-10-22-6-4-8-26(18-22)36-30(24)27/h4-9,13-14,16-20H,10-12,15H2,1-3H3 |
| InChI Key | JNMUZWBJUZBJLP-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C31H30O5 |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 7.40 |
| 4,5,17-trimethoxy-2,15-dioxapentacyclo(22.2.2.13,7.110,14.016,21)triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene |
| 4,5,17-trimethoxy-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-1(26),3,5,7(30),10(29),11,13,16(21),17,19,24,27-dodecaene |
| RefChem:155776 |
| CHEMBL463761 |
| 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 |
|---|---|---|---|---|
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.24% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.94% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.44% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.30% | 98.75% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 89.24% | 94.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.17% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.52% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.69% | 98.95% |
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.
| Marchantia polymorpha |
| PubChem | 10457959 |
| NPASS | NPC474227 |
| ChEMBL | CHEMBL463761 |