(1S,15R)-15-(3,4-dihydroxyphenyl)pentacyclo[11.8.1.03,8.09,22.016,21]docosa-3(8),4,6,9,11,13(22),16,18,20-nonaene-5,7,11,18,19-pentol
| Internal ID | 73c58c0d-e8e0-424d-939a-681217226134 |
| Taxonomy | Benzenoids > Dibenzocycloheptenes |
| IUPAC Name | (1S,15R)-15-(3,4-dihydroxyphenyl)pentacyclo[11.8.1.03,8.09,22.016,21]docosa-3(8),4,6,9,11,13(22),16,18,20-nonaene-5,7,11,18,19-pentol |
| SMILES (Canonical) | C1C(C2=CC(=C(C=C2C3CC4=C(C5=CC(=CC1=C35)O)C(=CC(=C4)O)O)O)O)C6=CC(=C(C=C6)O)O |
| SMILES (Isomeric) | C1[C@@H](C2=CC(=C(C=C2[C@@H]3CC4=C(C5=CC(=CC1=C35)O)C(=CC(=C4)O)O)O)O)C6=CC(=C(C=C6)O)O |
| InChI | InChI=1S/C28H22O7/c29-15-3-13-5-17(12-1-2-22(31)23(32)7-12)18-10-24(33)25(34)11-19(18)20-6-14-4-16(30)9-26(35)28(14)21(8-15)27(13)20/h1-4,7-11,17,20,29-35H,5-6H2/t17-,20+/m1/s1 |
| InChI Key | GHKGLJBAXWBDGN-XLIONFOSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H22O7 |
| Molecular Weight | 470.50 g/mol |
| Exact Mass | 470.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (1S,15R)-15-(3,4-dihydroxyphenyl)pentacyclo[11.8.1.03,8.09,22.016,21]docosa-3(8),4,6,9,11,13(22),16,18,20-nonaene-5,7,11,18,19-pentol](https://plantaedb.com/storage/docs/compounds/2023/11/0a3eaf80-862d-11ee-9cec-2b98ff63b927.jpg "2D Structure of (1S,15R)-15-(3,4-dihydroxyphenyl)pentacyclo[11.8.1.03,8.09,22.016,21]docosa-3(8),4,6,9,11,13(22),16,18,20-nonaene-5,7,11,18,19-pentol")
| 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 | 99.31% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 97.07% | 91.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.04% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.04% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.69% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.32% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.10% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.79% | 96.12% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.82% | 95.62% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.77% | 95.88% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.39% | 99.15% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 87.27% | 83.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.91% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 86.79% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.45% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.15% | 89.62% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.86% | 99.35% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.35% | 96.38% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.86% | 88.48% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.73% | 95.56% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.50% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.47% | 99.17% |
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 | 163028831 |
| LOTUS | LTS0112907 |
| wikiData | Q105008567 |