(1S,14R)-1,3,14,15,26-pentahydroxy-21-methoxy-7-methyl-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-2(11),3,7,9,15,18(23),20,25-octaene-5,17,19,22,24-pentone
| Internal ID | 99a93a66-0a12-479a-97d5-e53d4a566024 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (1S,14R)-1,3,14,15,26-pentahydroxy-21-methoxy-7-methyl-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-2(11),3,7,9,15,18(23),20,25-octaene-5,17,19,22,24-pentone |
| SMILES (Canonical) | CC1=CC2=CC3=C(C(=C2C(=O)O1)O)C4(C(=C5C(=C(C4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O |
| SMILES (Isomeric) | CC1=CC2=CC3=C(C(=C2C(=O)O1)O)[C@@]4(C(=C5C(=C([C@@]4(CC3)O)O)C(=O)C6=C(C5=O)C(=O)C(=CC6=O)OC)O)O |
| InChI | InChI=1S/C27H18O12/c1-8-5-10-6-9-3-4-26(36)23(33)16-17(24(34)27(26,37)18(9)22(32)13(10)25(35)39-8)21(31)15-14(20(16)30)11(28)7-12(38-2)19(15)29/h5-7,32-34,36-37H,3-4H2,1-2H3/t26-,27+/m1/s1 |
| InChI Key | RIDFNHJMBSRPNA-SXOMAYOGSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H18O12 |
| Molecular Weight | 534.40 g/mol |
| Exact Mass | 534.07982601 g/mol |
| Topological Polar Surface Area (TPSA) | 205.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (1S,14R)-1,3,14,15,26-pentahydroxy-21-methoxy-7-methyl-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-2(11),3,7,9,15,18(23),20,25-octaene-5,17,19,22,24-pentone](https://plantaedb.com/storage/docs/compounds/2023/11/217d25f0-8472-11ee-b4bf-450c6cd8bf70.jpg "2D Structure of (1S,14R)-1,3,14,15,26-pentahydroxy-21-methoxy-7-methyl-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-2(11),3,7,9,15,18(23),20,25-octaene-5,17,19,22,24-pentone")
| 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 | 98.29% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 97.43% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.39% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.74% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.95% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.03% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.10% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.07% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.52% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.49% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.64% | 89.63% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.42% | 92.94% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.17% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.71% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.98% | 85.14% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.86% | 96.67% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.86% | 94.42% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.22% | 91.07% |
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 | 135469160 |
| LOTUS | LTS0191948 |
| wikiData | Q77280205 |