(1R,13R)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one
| Internal ID | fec0f62a-1d98-44f6-84dc-68a948815d5e |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1R,13R)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one |
| SMILES (Canonical) | CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O |
| SMILES (Isomeric) | CC1CCCC=C[C@H]2CC(C[C@H]2C(C=CC(=O)O1)O)O |
| InChI | InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/t11?,12-,13?,14+,15?/m0/s1 |
| InChI Key | KQNZDYYTLMIZCT-VNECMYLUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H24O4 |
| Molecular Weight | 280.36 g/mol |
| Exact Mass | 280.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1R,13R)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r13r-215-dihydroxy-7-methyl-6-oxabicyclo1130hexadeca-311-dien-5-one.jpg "2D Structure of (1R,13R)-2,15-dihydroxy-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha |
316.2 nM |
Potency |
via Super-PRED
|
| CHEMBL5162 | Q6W5P4 | Neuropeptide S receptor |
501.2 nM |
Potency |
via Super-PRED
|
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein |
89.1 nM 199.5 nM 141.3 nM |
Potency Potency Potency |
via Super-PRED
via Super-PRED via Super-PRED |
| CHEMBL1293235 | P02545 | Prelamin-A/C |
223.9 nM |
Potency |
via Super-PRED
|
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A |
223.9 nM 100 nM 89.1 nM |
Potency Potency Potency |
via Super-PRED
via Super-PRED via Super-PRED |
| CHEMBL1293232 | Q16637 | Survival motor neuron protein |
501.2 nM 354.8 nM |
Potency Potency |
via Super-PRED
via Super-PRED |
| CHEMBL1947 | P10828 | Thyroid hormone receptor beta-1 |
707.9 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.25% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.92% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.33% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.39% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.12% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.68% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.92% | 98.95% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.67% | 86.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.48% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.28% | 83.82% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.65% | 91.07% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.26% | 92.94% |
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.
| Angelica sinensis |
| PubChem | 137704811 |
| LOTUS | LTS0216144 |
| wikiData | Q104389168 |