Marchantin C
| Internal ID | 5bcad743-44b1-455a-80b4-df4372cbe152 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 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-4,17-diol |
| SMILES (Canonical) | C1CC2=C(C(=CC=C2)O)OC3=CC=CC(=C3)CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5 |
| SMILES (Isomeric) | C1CC2=C(C(=CC=C2)O)OC3=CC=CC(=C3)CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5 |
| InChI | InChI=1S/C28H24O4/c29-25-16-12-21-8-7-20-3-1-5-24(17-20)32-28-22(4-2-6-26(28)30)13-9-19-10-14-23(15-11-19)31-27(25)18-21/h1-6,10-12,14-18,29-30H,7-9,13H2 |
| InChI Key | BLRFPCOIKKIKNC-UHFFFAOYSA-N |
| Popularity | 19 references in papers |
| Molecular Formula | C28H24O4 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 6.80 |
| CHEMBL1243029 |
| 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-4,17-diol |
| 88418-47-7 |
| 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 | 98.76% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.74% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.00% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.04% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.28% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.85% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.00% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.90% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.06% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.68% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.62% | 94.45% |
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.
| Dumortiera hirsuta |
| Jungermannia infusca |
| Marchantia paleacea |
| Marchantia polymorpha |
| Monoclea forsteri |
| Reboulia hemisphaerica |
| Schistochila glaucescens |
| PubChem | 5319272 |
| NPASS | NPC134431 |
| ChEMBL | CHEMBL1243029 |
| LOTUS | LTS0090107 |
| wikiData | Q104391814 |