(3R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,8,9-trihydroxy-6-methoxy-3-methyl-2,4-dihydroanthracen-1-one
| Internal ID | eea34632-e667-4bce-b6dc-8f8c53633faf |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | (3R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,8,9-trihydroxy-6-methoxy-3-methyl-2,4-dihydroanthracen-1-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C2=C(C3=C(CC(CC3=O)(C)O)C=C2C=C1OC)O)O)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C(C2=C(C3=C(C[C@@](CC3=O)(C)O)C=C2C=C1OC)O)O)/C)C |
| InChI | InChI=1S/C26H32O5/c1-15(2)7-6-8-16(3)9-10-19-21(31-5)12-17-11-18-13-26(4,30)14-20(27)22(18)25(29)23(17)24(19)28/h7,9,11-12,28-30H,6,8,10,13-14H2,1-5H3/b16-9+/t26-/m1/s1 |
| InChI Key | SVQACLMZZRRXPC-GSJDOASHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32O5 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of (3R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,8,9-trihydroxy-6-methoxy-3-methyl-2,4-dihydroanthracen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/83d3e600-85ac-11ee-99eb-11d773adf3a0.jpg "2D Structure of (3R)-7-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,8,9-trihydroxy-6-methoxy-3-methyl-2,4-dihydroanthracen-1-one")
| 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 | 99.75% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.57% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.43% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.12% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.19% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.64% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.64% | 96.09% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 92.62% | 92.68% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.45% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.32% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.27% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.44% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.21% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.15% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.10% | 91.07% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.88% | 96.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.68% | 95.17% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.40% | 80.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.55% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.49% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.41% | 85.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.08% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.04% | 89.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.78% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.56% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.42% | 95.50% |
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.
| Cratoxylum cochinchinense |
| PubChem | 163186968 |
| LOTUS | LTS0122899 |
| wikiData | Q105262354 |