(1R,2S,13R,17S)-8,23-dihydroxy-14,28-dimethoxy-6,21-dimethylnonacyclo[14.11.1.02,11.02,15.04,9.011,26.013,17.017,26.019,24]octacosa-4(9),5,7,19(24),20,22-hexaene-3,10,12,18,25,27-hexone
| Internal ID | f37041f3-271a-4c24-8567-573066a7ec91 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (1R,2S,13R,17S)-8,23-dihydroxy-14,28-dimethoxy-6,21-dimethylnonacyclo[14.11.1.02,11.02,15.04,9.011,26.013,17.017,26.019,24]octacosa-4(9),5,7,19(24),20,22-hexaene-3,10,12,18,25,27-hexone |
| SMILES (Canonical) | CC1=CC2=C(C(=C1)O)C(=O)C34C(=O)C5C(C6C3(C2=O)C7C(C6C58C4(C7=O)C(=O)C9=C(C8=O)C=C(C=C9O)C)OC)OC |
| SMILES (Isomeric) | CC1=CC2=C(C(=C1)O)C(=O)C34C(=O)[C@H]5C(C6[C@]3(C2=O)[C@@H]7C(C6[C@@]58C4(C7=O)C(=O)C9=C(C8=O)C=C(C=C9O)C)OC)OC |
| InChI | InChI=1S/C32H24O10/c1-9-5-11-15(13(33)7-9)25(37)31-28(40)20-21(41-3)17-18-22(42-4)19(29(17,31)23(11)35)27(39)32(31)26(38)16-12(24(36)30(18,20)32)6-10(2)8-14(16)34/h5-8,17-22,33-34H,1-4H3/t17?,18?,19-,20-,21?,22?,29-,30-,31?,32?/m1/s1 |
| InChI Key | ROBRFZABRZCKHN-MJEJLTFTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H24O10 |
| Molecular Weight | 568.50 g/mol |
| Exact Mass | 568.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,2S,13R,17S)-8,23-dihydroxy-14,28-dimethoxy-6,21-dimethylnonacyclo[14.11.1.02,11.02,15.04,9.011,26.013,17.017,26.019,24]octacosa-4(9),5,7,19(24),20,22-hexaene-3,10,12,18,25,27-hexone](https://plantaedb.com/storage/docs/compounds/2023/11/963ed280-8631-11ee-9520-c58e712cf60c.jpg "2D Structure of (1R,2S,13R,17S)-8,23-dihydroxy-14,28-dimethoxy-6,21-dimethylnonacyclo[14.11.1.02,11.02,15.04,9.011,26.013,17.017,26.019,24]octacosa-4(9),5,7,19(24),20,22-hexaene-3,10,12,18,25,27-hexone")
| 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 | 97.02% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.29% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.26% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.05% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.49% | 92.94% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.33% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.59% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.53% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.01% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.87% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.63% | 94.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.99% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.55% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.69% | 99.23% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.13% | 95.64% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.47% | 96.00% |
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.
| There are no matching plants. |
| PubChem | 139584071 |
| LOTUS | LTS0076859 |
| wikiData | Q77279188 |