Pentacyclo[7.6.6.02,7.010,15.016,21]henicosa-2(7),3,5,10(15),11,13,16,18,20-nonaene-3,5,11,13,18,19-hexol
| Internal ID | 17af3ca5-b5de-4872-9566-97956c0bd46a |
| Taxonomy | Benzenoids > Dibenzocycloheptenes |
| IUPAC Name | pentacyclo[7.6.6.02,7.010,15.016,21]henicosa-2(7),3,5,10(15),11,13,16,18,20-nonaene-3,5,11,13,18,19-hexol |
| SMILES (Canonical) | C1C2C3=CC(=C(C=C3C(C4=C2C(=CC(=C4)O)O)C5=C1C=C(C=C5O)O)O)O |
| SMILES (Isomeric) | C1C2C3=CC(=C(C=C3C(C4=C2C(=CC(=C4)O)O)C5=C1C=C(C=C5O)O)O)O |
| InChI | InChI=1S/C21H16O6/c22-9-1-8-2-12-11-6-15(24)16(25)7-13(11)21(19(8)17(26)4-9)14-3-10(23)5-18(27)20(12)14/h1,3-7,12,21-27H,2H2 |
| InChI Key | HIBXGILQLLDYCG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H16O6 |
| Molecular Weight | 364.30 g/mol |
| Exact Mass | 364.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of Pentacyclo[7.6.6.02,7.010,15.016,21]henicosa-2(7),3,5,10(15),11,13,16,18,20-nonaene-3,5,11,13,18,19-hexol](https://plantaedb.com/storage/docs/compounds/2023/11/a41975f0-86d7-11ee-95c6-4195f4bd258f.jpg "2D Structure of Pentacyclo[7.6.6.02,7.010,15.016,21]henicosa-2(7),3,5,10(15),11,13,16,18,20-nonaene-3,5,11,13,18,19-hexol")
| 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 | 98.46% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.06% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.65% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.75% | 95.62% |
| CHEMBL236 | P41143 | Delta opioid receptor | 90.14% | 99.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.88% | 97.09% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.14% | 91.79% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.30% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.75% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.04% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.90% | 95.89% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.21% | 96.12% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.12% | 85.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.59% | 94.45% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.55% | 97.23% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 83.23% | 92.68% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.56% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.14% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.89% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.75% | 90.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.07% | 86.00% |
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.
| Senna garrettiana |
| PubChem | 14188663 |
| LOTUS | LTS0048585 |
| wikiData | Q105028745 |