Isogomisin O
| Internal ID | cc7691af-e45f-4fcc-ba63-35d02e388e75 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-ol |
| SMILES (Canonical) | CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)O)OCO4)OC)OC)OC)OC |
| SMILES (Isomeric) | CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)O)OCO4)OC)OC)OC)OC |
| InChI | InChI=1S/C23H28O7/c1-11-7-13-8-15(25-3)20(26-4)22(27-5)17(13)18-14(19(24)12(11)2)9-16-21(23(18)28-6)30-10-29-16/h8-9,11-12,19,24H,7,10H2,1-6H3 |
| InChI Key | YVMJUSKDPJGDHW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O7 |
| Molecular Weight | 416.50 g/mol |
| Exact Mass | 416.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 75.60 Ų |
| XlogP | 4.00 |
| 83916-76-1 |
| YVMJUSKDPJGDHW-UHFFFAOYSA-N |
| Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-8-ol, 5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethyl-, stereoisomer; (6S,7S,8R,13aS)-5,6,7,8-Tetrahydro-1,2,3,13-tetramethoxy-6,7-dimethylbenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-8-ol |
| AKOS040761887 |
| A936755 |
| 1,2,3,13-Tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-8-ol # |
| Benzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-8-ol,5,6,7,8-tetrahydro-1,2,3,13-tetramethoxy-6,7- dimethyl-,(6S,7S,8R,13aS)- |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 95.74% | 96.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.96% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.71% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.67% | 86.33% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 91.67% | 82.67% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.99% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.91% | 92.62% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 86.45% | 96.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.25% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.73% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.72% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.45% | 89.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.88% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.92% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.70% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.58% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.59% | 97.25% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.32% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.77% | 98.75% |
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.
| Kadsura coccinea |
| Kadsura heteroclita |
| Schisandra lancifolia |
| Schisandra neglecta |
| PubChem | 634476 |
| LOTUS | LTS0095517 |
| wikiData | Q105365633 |