A-130A
| Internal ID | fb3dd3ab-b37c-43c4-9e19-8937d6d2918f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
| IUPAC Name | (E,2S,4R,8S)-8-[(2S,5R,6R,7R,9S)-2-[(2R,4S,5R,6R,9R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-4,6-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-7-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-2,6-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid |
| SMILES (Canonical) | CC1CCC(OC12C(CC(O2)C3C(CC(C(O3)(CO)O)C)C)C)C4(CCC5(O4)C(C(CC(O5)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)O)OC6CCC(C(O6)C)OC)C)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@@H](O[C@@]12[C@H](C[C@@H](O2)[C@@H]3[C@H](C[C@H]([C@@](O3)(CO)O)C)C)C)[C@@]4(CC[C@@]5(O4)[C@@H]([C@@H](C[C@H](O5)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@H]6CC[C@@H]([C@H](O6)C)OC)C)C |
| InChI | InChI=1S/C47H78O13/c1-25(19-26(2)41(49)27(3)20-29(5)43(50)51)36-23-37(55-40-16-14-35(53-12)34(10)54-40)33(9)46(56-36)18-17-44(11,60-46)39-15-13-30(6)47(58-39)32(8)22-38(57-47)42-28(4)21-31(7)45(52,24-48)59-42/h19,25,27-40,42,48,52H,13-18,20-24H2,1-12H3,(H,50,51)/b26-19+/t25-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,38+,39+,40-,42-,44-,45-,46+,47+/m0/s1 |
| InChI Key | LQFPDTISEHAMNQ-JRSQRZRGSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C47H78O13 |
| Molecular Weight | 851.10 g/mol |
| Exact Mass | 850.54424254 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 6.80 |
| A-130A |
| 51257-84-2 |
| Antibiotic A 130A |
| Antibiotic Ro 21 6150 |
| (2S,4R,8S,E)-8-((2S,2'R,4'S,5R,5'R,7S,7'R,9R,10R,10'R)-2'-((2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)-9-(((2R,5S,6R)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,4',10,10'-tetramethyl-1,1',6,6'-tetraoxa[2,7'-bispiro[4.5]decan]-7-yl)-2,4,6-trimethyl-5-oxonon-6-enoic acid |
| CHEMBL4098414 |
| DTXSID701318162 |
| AKOS040746494 |
| (11(2R,5S,6R),12R)-10-Demethyl-19-de((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-12-methyl-11-O-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)dianemycin |
| Dianemycin, 10-demethyl-19-de((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-12-methyl-11-O-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)-, (11R(2R,5S,6R),12R) |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.27% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 97.43% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.58% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.39% | 91.11% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.61% | 96.21% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.21% | 97.25% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 94.09% | 95.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 93.93% | 97.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.16% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.78% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.79% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.02% | 86.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.82% | 89.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 87.28% | 92.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.63% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.70% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.47% | 96.38% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.22% | 99.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.19% | 99.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.11% | 96.61% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.08% | 92.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.02% | 91.07% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.12% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.86% | 94.66% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.41% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.26% | 95.89% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 82.05% | 95.71% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.04% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.03% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.75% | 97.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.80% | 99.23% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 80.51% | 96.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.11% | 96.47% |
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 | 6441669 |
| LOTUS | LTS0057651 |
| wikiData | Q105155501 |