(2S,11R)-8,19-dihydroxy-2-methylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),4(9),5,7,15(20),16,18-heptaene-3,10,14,21-tetrone
| Internal ID | 66424046-6811-4e1d-943c-34520ace5a60 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | (2S,11R)-8,19-dihydroxy-2-methylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),4(9),5,7,15(20),16,18-heptaene-3,10,14,21-tetrone |
| SMILES (Canonical) | CC12C(CC3=C1C(=O)C4=C(C3=O)C=CC=C4O)C(=O)C5=C(C2=O)C=CC=C5O |
| SMILES (Isomeric) | C[C@]12[C@@H](CC3=C1C(=O)C4=C(C3=O)C=CC=C4O)C(=O)C5=C(C2=O)C=CC=C5O |
| InChI | InChI=1S/C22H14O6/c1-22-12(19(26)16-10(21(22)28)5-3-7-14(16)24)8-11-17(22)20(27)15-9(18(11)25)4-2-6-13(15)23/h2-7,12,23-24H,8H2,1H3/t12-,22-/m0/s1 |
| InChI Key | XVMQJJJRMHQCGD-YTEVENLXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H14O6 |
| Molecular Weight | 374.30 g/mol |
| Exact Mass | 374.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (2S,11R)-8,19-dihydroxy-2-methylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),4(9),5,7,15(20),16,18-heptaene-3,10,14,21-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/734e99a0-85b9-11ee-94e0-639a4103be50.jpg "2D Structure of (2S,11R)-8,19-dihydroxy-2-methylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),4(9),5,7,15(20),16,18-heptaene-3,10,14,21-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.31% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.28% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.27% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.16% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.98% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.64% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.77% | 93.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.47% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.29% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.64% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.79% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.02% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.68% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.30% | 96.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.17% | 86.33% |
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.
| Plumbago zeylanica |
| PubChem | 162941441 |
| LOTUS | LTS0200498 |
| wikiData | Q105342985 |