17,17-Dimethyl-8-(3-methylbut-2-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaene-2,7-diol
| Internal ID | c0b408df-1a2c-4b21-8acb-386f103e1065 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 17,17-dimethyl-8-(3-methylbut-2-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaene-2,7-diol |
| SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1O)OCC3(C2OC4=C3C=CC5=C4C=CC(O5)(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1O)OCC3(C2OC4=C3C=CC5=C4C=CC(O5)(C)C)O)C |
| InChI | InChI=1S/C25H26O5/c1-14(2)5-6-15-11-17-21(12-19(15)26)28-13-25(27)18-7-8-20-16(22(18)29-23(17)25)9-10-24(3,4)30-20/h5,7-12,23,26-27H,6,13H2,1-4H3 |
| InChI Key | CMHGFGMNRHHGSN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 17,17-Dimethyl-8-(3-methylbut-2-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaene-2,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/e46ff970-8554-11ee-921e-7bf7579a5a32.jpg "2D Structure of 17,17-Dimethyl-8-(3-methylbut-2-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaene-2,7-diol")
| 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 | 99.78% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.67% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.55% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.87% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.65% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.64% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.80% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.59% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.36% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.28% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.78% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.75% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.42% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.10% | 95.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.80% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.77% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.18% | 85.14% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 83.34% | 97.88% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.41% | 93.10% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.34% | 85.30% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.08% | 85.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.07% | 90.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.91% | 89.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.90% | 99.15% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.67% | 90.24% |
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.
| Erythrina abyssinica |
| Erythrina suberosa |
| Erythrina variegata |
| PubChem | 22297563 |
| LOTUS | LTS0129165 |
| wikiData | Q104964536 |