Subglutinol C
| Internal ID | 911d4c38-b430-4c5f-aec5-101319c748a1 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | 3-[[(2S,3aS,5aR,6R,9aR,9bS)-2-[(E)-3-hydroxy-2-methylprop-1-enyl]-5a,9b-dimethyl-7-methylidene-2,3a,4,5,6,8,9,9a-octahydro-1H-benzo[e][1]benzofuran-6-yl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one |
| SMILES (Canonical) | CC1=C(OC(=O)C(=C1O)CC2C(=C)CCC3C2(CCC4C3(CC(O4)C=C(C)CO)C)C)C |
| SMILES (Isomeric) | CC1=C(OC(=O)C(=C1O)C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@H]4[C@]3(C[C@H](O4)/C=C(\C)/CO)C)C)C |
| InChI | InChI=1S/C27H38O5/c1-15(14-28)11-19-13-27(6)22-8-7-16(2)21(26(22,5)10-9-23(27)32-19)12-20-24(29)17(3)18(4)31-25(20)30/h11,19,21-23,28-29H,2,7-10,12-14H2,1,3-6H3/b15-11+/t19-,21-,22-,23+,26-,27+/m1/s1 |
| InChI Key | JMBZAHZJKNMSBL-OYDYTUKUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H38O5 |
| Molecular Weight | 442.60 g/mol |
| Exact Mass | 442.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
| 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 | 98.64% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.35% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.55% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.27% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.58% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.68% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.10% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.90% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.50% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.06% | 91.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.38% | 94.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 85.37% | 99.43% |
| CHEMBL3714531 | Q6P988 | Palmitoleoyl-protein carboxylesterase NOTUM | 84.46% | 97.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.56% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.50% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.41% | 96.21% |
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.
| There are no matching plants. |
| PubChem | 132516458 |
| LOTUS | LTS0193907 |
| wikiData | Q105131247 |