Baculiferin C
| Internal ID | 9f2bf17a-8fac-4e54-bba9-815759869f8c |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | [2-hydroxy-5-[5,6,18,19-tetrahydroxy-12-[2-(4-hydroxyphenyl)ethyl]-14-(4-hydroxy-3-sulfooxyphenyl)-9,15-dioxo-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1,3,5,7,10,13,16,18,20-nonaen-10-yl]phenyl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H27NO17S2/c42-20-5-1-17(2-6-20)9-10-41-37-33(18-3-7-25(43)31(11-18)57-59(51,52)53)39(49)23-15-29(47)27(45)13-21(23)35(37)36-22-14-28(46)30(48)16-24(22)40(50)34(38(36)41)19-4-8-26(44)32(12-19)58-60(54,55)56/h1-8,11-16,42-48H,9-10H2,(H,51,52,53)(H,54,55,56) |
| InChI Key | TZEUKVIOCSOUAF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H27NO17S2 |
| Molecular Weight | 857.80 g/mol |
| Exact Mass | 857.07204074 g/mol |
| Topological Polar Surface Area (TPSA) | 323.00 Ų |
| XlogP | 3.50 |
| CHEMBL1214280 |
| [2-hydroxy-5-[tetrahydroxy-[2-(4-hydroxyphenyl)ethyl]-(4-hydroxy-3-sulfooxy-phenyl)-dioxo-[?]yl]phenyl] hydrogen sulfate |
| {2,3,11,12-Tetrahydroxy-7-[2-(4-hydroxyphenyl)ethyl]-5,9-dioxo-7,9-dihydro-5H-dibenzo[c,g]carbazole-6,8-diyl}bis-6-hydroxybenzene-3,1-diyl bis(hydrogen sulfate) |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.66% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.38% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.33% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.70% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.98% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.98% | 86.92% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.39% | 96.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.74% | 91.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.56% | 99.15% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 90.05% | 95.53% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 89.72% | 91.76% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.63% | 93.40% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.97% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.31% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.14% | 94.45% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.05% | 95.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.31% | 99.17% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.99% | 80.78% |
| CHEMBL1795185 | Q58F21 | Bromodomain testis-specific protein | 82.51% | 89.76% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.32% | 90.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.99% | 98.59% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.86% | 96.09% |
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 | 136199845 |
| LOTUS | LTS0122782 |
| wikiData | Q105268093 |