7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2R)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione
| Internal ID | 7a68a2e5-fcfd-4b3f-a5c2-eb289320c2bd |
| Taxonomy | Benzenoids > Perylenequinones |
| IUPAC Name | 7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2R)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3/t10-,11?/m1/s1 |
| InChI Key | MXLWQNCWIIZUQT-NFJWQWPMSA-N |
| Popularity | 79 references in papers |
| Molecular Formula | C29H26O10 |
| Molecular Weight | 534.50 g/mol |
| Exact Mass | 534.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 4.00 |
| KBA08249 |
![2D Structure of 7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2R)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/df791ac0-8563-11ee-993c-350703086d0c.jpg "2D Structure of 7,19-dihydroxy-5-(2-hydroxypropyl)-21-[(2R)-2-hydroxypropyl]-6,20-dimethoxy-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaene-9,17-dione")
| 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 | 98.94% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.68% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.44% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.05% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.17% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.52% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.03% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.85% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.70% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.68% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.83% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.75% | 94.73% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.94% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.89% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.73% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.14% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.95% | 90.71% |
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.
| There are no matching plants. |
| PubChem | 90471707 |
| LOTUS | LTS0081574 |
| wikiData | Q104392184 |