(8,8'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester
| Internal ID | 9fc0877d-54ba-4bda-bc6a-373d103481d0 |
| Taxonomy | Phenylpropanoids and polyketides > Tetracyclines |
| IUPAC Name | 3',4',8',9',12',14'-hexahydroxy-16'-methoxy-1,5,5-trimethyl-6',10'-dioxospiro[cyclohexene-6,18'-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),7,12,14,16-hexaene]-7'-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32,34-36,39-40H,5,7,9-10H2,1-4H3,(H2,31,38) |
| InChI Key | FNSQKFOXORBCCC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H31NO10 |
| Molecular Weight | 565.60 g/mol |
| Exact Mass | 565.19479619 g/mol |
| Topological Polar Surface Area (TPSA) | 208.00 Ų |
| XlogP | 2.30 |
| NSC159628 |
| SCHEMBL13024388 |
| SUWQGLGDFGHZNH-UHFFFAOYSA-N |
| Spiro[2-cyclohexene-1,2'(1'H)-cyclopenta[de]naphthacene]-9'-carboxamide, 7',7'a,8',11',11'a,12'-hexahydro-5',6',7'a,10',11'a,12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-, (2'.alpha.,7'a.beta.,11'a.beta.,12'.beta.)-(-)- |
| HY-129208 |
| CS-0104456 |
| (8,8'-Bi-1H-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester |
| 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 | 99.48% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.49% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.63% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.51% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.47% | 94.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.66% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 93.13% | 91.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.31% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.92% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.72% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.31% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.95% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.29% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.45% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.43% | 93.99% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 88.14% | 94.42% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 87.69% | 94.05% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.94% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.97% | 91.19% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 84.79% | 98.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.69% | 91.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.00% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.59% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.32% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.68% | 85.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.62% | 93.03% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.61% | 80.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.36% | 91.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.07% | 93.04% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.73% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.47% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.26% | 96.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.17% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 80.00% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 54679209 |
| LOTUS | LTS0059633 |
| wikiData | Q104166574 |