6-Prop-1-en-2-yl-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,8,14,16(20),21-hexaene
Internal ID | 1df292fd-b938-465d-afcc-a50458253791 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
IUPAC Name | 6-prop-1-en-2-yl-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,8,14,16(20),21-hexaene |
SMILES (Canonical) | CC(=C)C1CC2=CC3=C(C=C2O1)OCC4C3OC5=CC6=C(C=C45)OCO6 |
SMILES (Isomeric) | CC(=C)C1CC2=CC3=C(C=C2O1)OCC4C3OC5=CC6=C(C=C45)OCO6 |
InChI | InChI=1S/C21H18O5/c1-10(2)15-4-11-3-13-17(6-16(11)25-15)22-8-14-12-5-19-20(24-9-23-19)7-18(12)26-21(13)14/h3,5-7,14-15,21H,1,4,8-9H2,2H3 |
InChI Key | JDLWWTGCAJYSSZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H18O5 |
Molecular Weight | 350.40 g/mol |
Exact Mass | 350.11542367 g/mol |
Topological Polar Surface Area (TPSA) | 46.20 Ų |
XlogP | 4.10 |
There are no found synonyms. |
![2D Structure of 6-Prop-1-en-2-yl-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,8,14,16(20),21-hexaene 2D Structure of 6-Prop-1-en-2-yl-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,8,14,16(20),21-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/110d7f60-82dd-11ee-8334-65802f6e219a.jpg)
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 |
---|---|---|---|---|
CHEMBL2039 | P27338 | Monoamine oxidase B | 98.67% | 92.51% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.29% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.65% | 96.09% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.91% | 94.80% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 89.51% | 91.49% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.83% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 88.30% | 98.95% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.87% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.68% | 94.45% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.66% | 80.96% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.09% | 97.25% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.05% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.57% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.49% | 95.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.80% | 95.89% |
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.
Pongamiopsis pervilleana |
PubChem | 75244855 |
LOTUS | LTS0043307 |
wikiData | Q105125584 |