methyl (1S,2R,5S,10S,11S,14S,15R,21S,23R)-10,23-dihydroxy-21-[(1S)-1-hydroxyethyl]-2,5,8,14-tetramethyl-18-oxo-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricosa-7,16-diene-11-carboxylate
Internal ID | f07037f8-569d-4819-b0e7-01fee933e401 |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids |
IUPAC Name | methyl (1S,2R,5S,10S,11S,14S,15R,21S,23R)-10,23-dihydroxy-21-[(1S)-1-hydroxyethyl]-2,5,8,14-tetramethyl-18-oxo-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricosa-7,16-diene-11-carboxylate |
SMILES (Canonical) | CC1=CCC2(CCC3(C4C(CC5(COC(=O)C=CC5C4(CCC3(C2(C1)O)C(=O)OC)C)C(C)O)O)C)C |
SMILES (Isomeric) | CC1=CC[C@@]2(CC[C@@]3([C@H]4[C@@H](C[C@]5(COC(=O)C=C[C@@H]5[C@@]4(CC[C@]3([C@@]2(C1)O)C(=O)OC)C)[C@H](C)O)O)C)C |
InChI | InChI=1S/C30H44O7/c1-18-9-10-25(3)11-13-27(5)23-20(32)16-28(19(2)31)17-37-22(33)8-7-21(28)26(23,4)12-14-29(27,24(34)36-6)30(25,35)15-18/h7-9,19-21,23,31-32,35H,10-17H2,1-6H3/t19-,20+,21+,23-,25+,26-,27+,28-,29-,30-/m0/s1 |
InChI Key | MYRCCYOWAVWIKR-IYGQVEJZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H44O7 |
Molecular Weight | 516.70 g/mol |
Exact Mass | 516.30870374 g/mol |
Topological Polar Surface Area (TPSA) | 113.00 Ų |
XlogP | 3.90 |
There are no found synonyms. |
![2D Structure of methyl (1S,2R,5S,10S,11S,14S,15R,21S,23R)-10,23-dihydroxy-21-[(1S)-1-hydroxyethyl]-2,5,8,14-tetramethyl-18-oxo-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricosa-7,16-diene-11-carboxylate 2D Structure of methyl (1S,2R,5S,10S,11S,14S,15R,21S,23R)-10,23-dihydroxy-21-[(1S)-1-hydroxyethyl]-2,5,8,14-tetramethyl-18-oxo-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricosa-7,16-diene-11-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/6fd04480-8690-11ee-a5e1-13495440436a.jpg)
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.88% | 91.11% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.91% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.52% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.47% | 97.25% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.60% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 95.28% | 98.95% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.00% | 96.38% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 94.79% | 95.71% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 94.25% | 96.47% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.59% | 94.45% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.72% | 96.77% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 92.30% | 98.75% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.19% | 91.07% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.72% | 99.23% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.12% | 95.50% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.10% | 89.50% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.52% | 100.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.82% | 95.89% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.48% | 97.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.73% | 94.00% |
CHEMBL5028 | O14672 | ADAM10 | 83.41% | 97.50% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.32% | 86.33% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.31% | 94.33% |
CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.64% | 80.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.93% | 89.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.59% | 90.00% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.94% | 91.24% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.79% | 100.00% |
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.
Galphimia glauca |
PubChem | 163005429 |
LOTUS | LTS0128007 |
wikiData | Q105175122 |