6,6-Dimethyl-10,16-bis(3-methylbut-2-enyl)-7,12,20-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-2,4,8,10,14(19),15,17-heptaene-9,17-diol
| Internal ID | d5dee452-4725-4315-9cbe-8c4b3ea5d0a3 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 6,6-dimethyl-10,16-bis(3-methylbut-2-enyl)-7,12,20-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-2,4,8,10,14(19),15,17-heptaene-9,17-diol |
| SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=C(C(=C5C(=C34)C=CC(O5)(C)C)O)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=C(C(=C5C(=C34)C=CC(O5)(C)C)O)CC=C(C)C)C |
| InChI | InChI=1S/C30H34O5/c1-16(2)7-9-18-13-21-24(14-23(18)31)33-15-22-25-19-11-12-30(5,6)35-29(19)26(32)20(10-8-17(3)4)28(25)34-27(21)22/h7-8,11-14,22,27,31-32H,9-10,15H2,1-6H3 |
| InChI Key | AJYSQFRTOQQIHC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H34O5 |
| Molecular Weight | 474.60 g/mol |
| Exact Mass | 474.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 6,6-Dimethyl-10,16-bis(3-methylbut-2-enyl)-7,12,20-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-2,4,8,10,14(19),15,17-heptaene-9,17-diol](https://plantaedb.com/storage/docs/compounds/2023/11/be47c010-8593-11ee-9a2c-a50879caef52.jpg "2D Structure of 6,6-Dimethyl-10,16-bis(3-methylbut-2-enyl)-7,12,20-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-2,4,8,10,14(19),15,17-heptaene-9,17-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 | 99.87% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.53% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.64% | 91.49% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.77% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.22% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.94% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.65% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.47% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.84% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.36% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.27% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.17% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.68% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.83% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.36% | 89.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.67% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.18% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.09% | 93.40% |
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.
| Lespedeza cyrtobotrya |
| PubChem | 56680953 |
| LOTUS | LTS0120904 |
| wikiData | Q104913475 |