(2S,10S)-10-(3,4-dihydroxyphenyl)-2-[(3,5-dihydroxyphenyl)methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-4,6,13,14-tetrol
| Internal ID | 016706b7-36e0-4b8f-b5a6-22a6cac2d099 |
| Taxonomy | Benzenoids > Dibenzocycloheptenes |
| IUPAC Name | (2S,10S)-10-(3,4-dihydroxyphenyl)-2-[(3,5-dihydroxyphenyl)methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-4,6,13,14-tetrol |
| SMILES (Canonical) | C1C(C2=CC(=C(C=C2C(C3=C1C=C(C=C3O)O)CC4=CC(=CC(=C4)O)O)O)O)C5=CC(=C(C=C5)O)O |
| SMILES (Isomeric) | C1[C@H](C2=CC(=C(C=C2[C@@H](C3=C1C=C(C=C3O)O)CC4=CC(=CC(=C4)O)O)O)O)C5=CC(=C(C=C5)O)O |
| InChI | InChI=1S/C28H24O8/c29-16-3-13(4-17(30)9-16)5-22-21-12-26(35)25(34)11-20(21)19(14-1-2-23(32)24(33)8-14)7-15-6-18(31)10-27(36)28(15)22/h1-4,6,8-12,19,22,29-36H,5,7H2/t19-,22-/m0/s1 |
| InChI Key | SJCXTMZZGQRDQF-UGKGYDQZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H24O8 |
| Molecular Weight | 488.50 g/mol |
| Exact Mass | 488.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 162.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (2S,10S)-10-(3,4-dihydroxyphenyl)-2-[(3,5-dihydroxyphenyl)methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-4,6,13,14-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/dfd2ca60-8765-11ee-b2fa-95d5045348fc.jpg "2D Structure of (2S,10S)-10-(3,4-dihydroxyphenyl)-2-[(3,5-dihydroxyphenyl)methyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-4,6,13,14-tetrol")
| 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 | 99.15% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.66% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.41% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 93.21% | 97.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.82% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.81% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.82% | 93.40% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.42% | 99.17% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.33% | 91.79% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.18% | 83.82% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.07% | 89.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.28% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.23% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 84.28% | 96.12% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.80% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.38% | 95.89% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.74% | 99.35% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 82.33% | 99.09% |
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 | 163042642 |
| LOTUS | LTS0197134 |
| wikiData | Q105254225 |