Rubrifloralignan A
| Internal ID | aefff32f-4298-4af5-89ed-85cab1f12594 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (9R,10S)-4,5,14,15-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,16-diol |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)O)O)OC)OC |
| SMILES (Isomeric) | C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]1C)OC)OC)O)O)OC)OC |
| InChI | InChI=1S/C22H28O6/c1-11-7-13-9-15(25-3)21(27-5)19(23)17(13)18-14(8-12(11)2)10-16(26-4)22(28-6)20(18)24/h9-12,23-24H,7-8H2,1-6H3/t11-,12+ |
| InChI Key | ZMOXXNHDVIGEAX-TXEJJXNPSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H28O6 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 4.60 |
| (9R,10S)-4,5,14,15-Tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,16-diol |
| Dibenzo[a,c]cyclooctene-1,12-diol, 5,6,7,8-tetrahydro-2,3,10,11-tetramethoxy-6,7-dimethyl-, (6R,7S)- |
| 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 | 97.65% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.44% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.81% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.04% | 92.94% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.30% | 95.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.92% | 99.17% |
| CHEMBL4355 | O14976 | Serine/threonine-protein kinase GAK | 84.15% | 89.32% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.65% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.49% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.99% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.16% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.67% | 94.45% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.18% | 91.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.07% | 90.00% |
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.
| Schisandra rubriflora |
| PubChem | 15736323 |
| LOTUS | LTS0132303 |
| wikiData | Q105379623 |