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),20-hexaene-7,16-diol
Internal ID | 98fd25bd-a731-4bc9-ac5b-7d427714d78e |
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),20-hexaene-7,16-diol |
SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=C3C=CC5=C4CC(C(O5)(C)C)O)C |
SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=C3C=CC5=C4CC(C(O5)(C)C)O)C |
InChI | InChI=1S/C25H28O5/c1-13(2)5-6-14-9-16-21(11-19(14)26)28-12-18-15-7-8-20-17(23(15)29-24(16)18)10-22(27)25(3,4)30-20/h5,7-9,11,18,22,24,26-27H,6,10,12H2,1-4H3 |
InChI Key | UNODSKHATHZQGW-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C25H28O5 |
Molecular Weight | 408.50 g/mol |
Exact Mass | 408.19367399 g/mol |
Topological Polar Surface Area (TPSA) | 68.20 Ų |
XlogP | 4.60 |
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 | 99.76% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.41% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 95.10% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.76% | 96.09% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.45% | 90.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.14% | 86.33% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.15% | 83.82% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.25% | 100.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.19% | 94.73% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.56% | 85.14% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.33% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.81% | 97.09% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.44% | 94.80% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.08% | 93.40% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.48% | 95.56% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.95% | 89.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.55% | 92.62% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.58% | 100.00% |
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.
Erythrina abyssinica |
Erythrina lysistemon |
Erythrina suberosa |
PubChem | 85433283 |
LOTUS | LTS0077245 |
wikiData | Q105276074 |