(1R,2S,3S,6Z,8E,10S,11S,13R,15E,20R,23S,24S,25R,27R,29R)-1,23,29-trihydroxy-2,11,15,23-tetramethyl-4,12,18,26,30-pentaoxahexacyclo[22.3.1.13,27.110,13.02,20.020,25]triaconta-6,8,15-triene-5,17-dione
| Internal ID | 09aad06e-011a-478f-a546-de3f80ebb8fd |
| Taxonomy | Phenylpropanoids and polyketides > Macrolides and analogues |
| IUPAC Name | (1R,2S,3S,6Z,8E,10S,11S,13R,15E,20R,23S,24S,25R,27R,29R)-1,23,29-trihydroxy-2,11,15,23-tetramethyl-4,12,18,26,30-pentaoxahexacyclo[22.3.1.13,27.110,13.02,20.020,25]triaconta-6,8,15-triene-5,17-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H38O10/c1-15-11-20(31)35-14-28-10-9-26(3,33)17-13-29(34)25(39-23(17)28)22(32)24(27(28,29)4)38-19(30)8-6-5-7-18-16(2)36-21(12-15)37-18/h5-8,11,16-18,21-25,32-34H,9-10,12-14H2,1-4H3/b7-5+,8-6-,15-11+/t16-,17-,18-,21+,22+,23+,24+,25+,26-,27+,28+,29-/m0/s1 |
| InChI Key | HWKRKZKQSUCWKS-MGLAVMJOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H38O10 |
| Molecular Weight | 546.60 g/mol |
| Exact Mass | 546.24649740 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (1R,2S,3S,6Z,8E,10S,11S,13R,15E,20R,23S,24S,25R,27R,29R)-1,23,29-trihydroxy-2,11,15,23-tetramethyl-4,12,18,26,30-pentaoxahexacyclo[22.3.1.13,27.110,13.02,20.020,25]triaconta-6,8,15-triene-5,17-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1ded3da0-8690-11ee-bf5a-3bf9765767be.jpg "2D Structure of (1R,2S,3S,6Z,8E,10S,11S,13R,15E,20R,23S,24S,25R,27R,29R)-1,23,29-trihydroxy-2,11,15,23-tetramethyl-4,12,18,26,30-pentaoxahexacyclo[22.3.1.13,27.110,13.02,20.020,25]triaconta-6,8,15-triene-5,17-dione")
| 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 | 95.21% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.81% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.44% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.36% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.99% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.81% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.76% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.62% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.97% | 94.80% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.47% | 96.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.19% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.66% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.57% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.16% | 97.21% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.17% | 96.39% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.02% | 86.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.14% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.04% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.82% | 93.40% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.10% | 85.30% |
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 | 11049880 |
| LOTUS | LTS0161757 |
| wikiData | Q105034685 |