Baculiferin H
| Internal ID | b4614dbc-18ae-4790-9c47-f21f8463cda9 |
| Taxonomy | Benzenoids > Naphthalenes > Phenylnaphthalenes |
| IUPAC Name | [5-[14-(3,4-dihydroxyphenyl)-6,18-dihydroxy-12-[2-(4-hydroxyphenyl)ethyl]-9,15-dioxo-5,19-disulfooxy-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1,3,5,7,10,13,16,18,20-nonaen-10-yl]-2-hydroxyphenyl] hydrogen sulfate |
| SMILES (Canonical) | C1=CC(=CC=C1CCN2C3=C(C(=O)C4=CC(=C(C=C4C3=C5C2=C(C(=O)C6=CC(=C(C=C65)OS(=O)(=O)O)O)C7=CC(=C(C=C7)O)OS(=O)(=O)O)OS(=O)(=O)O)O)C8=CC(=C(C=C8)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CCN2C3=C(C(=O)C4=CC(=C(C=C4C3=C5C2=C(C(=O)C6=CC(=C(C=C65)OS(=O)(=O)O)O)C7=CC(=C(C=C7)O)OS(=O)(=O)O)OS(=O)(=O)O)O)C8=CC(=C(C=C8)O)O)O |
| InChI | InChI=1S/C40H27NO20S3/c42-20-5-1-17(2-6-20)9-10-41-37-33(18-3-7-25(43)27(45)11-18)39(48)23-13-28(46)31(60-63(53,54)55)15-21(23)35(37)36-22-16-32(61-64(56,57)58)29(47)14-24(22)40(49)34(38(36)41)19-4-8-26(44)30(12-19)59-62(50,51)52/h1-8,11-16,42-47H,9-10H2,(H,50,51,52)(H,53,54,55)(H,56,57,58) |
| InChI Key | PMDKBDYNUUWLPG-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C40H27NO20S3 |
| Molecular Weight | 937.80 g/mol |
| Exact Mass | 937.02885577 g/mol |
| Topological Polar Surface Area (TPSA) | 375.00 Ų |
| XlogP | 2.90 |
| CHEMBL1214285 |
| [5-[(3,4-dihydroxyphenyl)-dihydroxy-[2-(4-hydroxyphenyl)ethyl]-dioxo-disulfooxy-[?]yl]-2-hydroxy-phenyl] hydrogen sulfate |
| 6-(3,4-Dihydroxyphenyl)-3,11-dihydroxy-7-[2-(4-hydroxyphenyl)ethyl]-8-[4-hydroxy-3-(sulfooxy)phenyl]-5,9-dioxo-7,9-dihydro-5H-dibenzo[c,g]carbazole-2,12-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 | 98.61% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.67% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.97% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.53% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.23% | 96.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.98% | 86.92% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 91.30% | 95.53% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.05% | 94.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.69% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.56% | 99.15% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 89.07% | 91.76% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 88.73% | 95.34% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.69% | 91.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.19% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.84% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.58% | 94.45% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.75% | 80.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.36% | 99.17% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.74% | 98.59% |
| CHEMBL1795185 | Q58F21 | Bromodomain testis-specific protein | 83.74% | 89.76% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.06% | 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 | 135936255 |
| LOTUS | LTS0086164 |
| wikiData | Q105211410 |