(3S)-7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione
| Internal ID | 0b24ea43-2149-4cb7-a519-2757b83e00c2 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Phenanthrols |
| IUPAC Name | (3S)-7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione |
| SMILES (Canonical) | COC1=C2C(=C3C=CC(=CC3=C1)O)C(=CC4=C2C5(CC(=O)C6=C7C=CC(=CC7=CC(=C65)OC)O)C(=O)O4)O |
| SMILES (Isomeric) | COC1=C2C(=C3C=CC(=CC3=C1)O)C(=CC4=C2[C@]5(CC(=O)C6=C7C=CC(=CC7=CC(=C65)OC)O)C(=O)O4)O |
| InChI | InChI=1S/C30H20O8/c1-36-21-9-13-7-15(31)3-5-17(13)24-19(33)11-23-28(26(21)24)30(29(35)38-23)12-20(34)25-18-6-4-16(32)8-14(18)10-22(37-2)27(25)30/h3-11,31-33H,12H2,1-2H3/t30-/m1/s1 |
| InChI Key | UWWYZNJBKCPSCM-SSEXGKCCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H20O8 |
| Molecular Weight | 508.50 g/mol |
| Exact Mass | 508.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (3S)-7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione](https://plantaedb.com/storage/docs/compounds/2023/11/89ab9510-857e-11ee-8092-5b783c2dcaa6.jpg "2D Structure of (3S)-7,7',10'-trihydroxy-4,4'-dimethoxyspiro[2H-cyclopenta[a]naphthalene-3,3'-naphtho[2,1-e][1]benzofuran]-1,2'-dione")
| 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 | 99.32% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.30% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.79% | 94.00% |
| CHEMBL240 | Q12809 | HERG | 95.66% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.08% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.47% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.73% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.36% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.32% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.58% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.56% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.09% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.48% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.30% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.94% | 89.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.86% | 95.53% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.76% | 94.03% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.31% | 89.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.73% | 90.20% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.07% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.52% | 90.00% |
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.
| Dendrobium chrysanthum |
| PubChem | 162980049 |
| LOTUS | LTS0123776 |
| wikiData | Q105280600 |