11,12-Dihydroxy-16-methyl-14-methylidene-8-[2-(4-methyl-6-oxo-2,3-dihydropyran-2-yl)ethenyl]-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-one
| Internal ID | fe120233-1fc5-4bd5-ba30-138c569814d8 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | 11,12-dihydroxy-16-methyl-14-methylidene-8-[2-(4-methyl-6-oxo-2,3-dihydropyran-2-yl)ethenyl]-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H40O8/c1-18-12-19(2)15-24(31)30(34)27-17-26(25(37-27)11-10-23-14-20(3)16-29(33)36-23)38-28(32)9-5-7-21-6-4-8-22(13-18)35-21/h4-6,9-11,16,18,21-27,30-31,34H,2,7-8,12-15,17H2,1,3H3 |
| InChI Key | CVVBJPYJIWDRMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H40O8 |
| Molecular Weight | 528.60 g/mol |
| Exact Mass | 528.27231823 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 11,12-Dihydroxy-16-methyl-14-methylidene-8-[2-(4-methyl-6-oxo-2,3-dihydropyran-2-yl)ethenyl]-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2761adc0-85d5-11ee-bca5-f79b2f3b7273.jpg "2D Structure of 11,12-Dihydroxy-16-methyl-14-methylidene-8-[2-(4-methyl-6-oxo-2,3-dihydropyran-2-yl)ethenyl]-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.55% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.18% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.10% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.96% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.55% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.32% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.67% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.14% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.70% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.01% | 86.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.84% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.78% | 94.80% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.67% | 87.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.40% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.04% | 96.77% |
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.
| Dimerostemma asperatum |
| Dimerostemma lippioides |
| PubChem | 73323983 |
| LOTUS | LTS0231905 |
| wikiData | Q105006869 |