(10S)-1,3,8,10-tetrahydroxy-6-methyl-4,5-bis(3-methylbut-2-enyl)-10H-anthracen-9-one
| Internal ID | 5158dc78-8a3a-4cd5-82ea-4271b160c480 |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (10S)-1,3,8,10-tetrahydroxy-6-methyl-4,5-bis(3-methylbut-2-enyl)-10H-anthracen-9-one |
| SMILES (Canonical) | CC1=CC(=C2C(=C1CC=C(C)C)C(C3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)O |
| SMILES (Isomeric) | CC1=CC(=C2C(=C1CC=C(C)C)[C@@H](C3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)O |
| InChI | InChI=1S/C25H28O5/c1-12(2)6-8-15-14(5)10-18(27)22-20(15)24(29)21-16(9-7-13(3)4)17(26)11-19(28)23(21)25(22)30/h6-7,10-11,24,26-29H,8-9H2,1-5H3/t24-/m0/s1 |
| InChI Key | HDMVLEWLWPOMNK-DEOSSOPVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O5 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
| 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 | 97.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.09% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.17% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.93% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.67% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.06% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.66% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.44% | 99.15% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.35% | 97.21% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.18% | 93.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.44% | 96.90% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.42% | 94.75% |
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.
| Harungana madagascariensis |
| Vismia latifolia |
| PubChem | 162893012 |
| LOTUS | LTS0051837 |
| wikiData | Q104667800 |