Hamuramicin B
| Internal ID | 2294c996-69a3-4f5a-81a0-7f2b105290d9 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (4E,7E,9E,11E,15E,17E,19E,22R)-22-[(2S,3R,4R)-3,7-dihydroxy-4-methyldecan-2-yl]-6,14-dihydroxy-5,8,12-trimethyl-1-oxacyclodocosa-4,7,9,11,15,17,19-heptaene-2,13-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H52O7/c1-7-14-29(36)21-19-27(5)34(40)28(6)32-18-12-10-8-9-11-17-30(37)35(41)26(4)16-13-15-24(2)23-31(38)25(3)20-22-33(39)42-32/h8-13,15-17,20,23,27-32,34,36-38,40H,7,14,18-19,21-22H2,1-6H3/b9-8+,12-10+,15-13+,17-11+,24-23+,25-20+,26-16+/t27-,28-,29?,30?,31?,32-,34-/m1/s1 |
| InChI Key | QLZKMDGIDCWQSD-JXUMEYAQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H52O7 |
| Molecular Weight | 584.80 g/mol |
| Exact Mass | 584.37130399 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.65% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.09% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.72% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.78% | 96.77% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.55% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.69% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.33% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.33% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.83% | 99.23% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 84.05% | 95.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.53% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.44% | 89.34% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.15% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.10% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.81% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.37% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.26% | 99.17% |
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 | 139589543 |
| LOTUS | LTS0238790 |
| wikiData | Q105223854 |