[6]-Gingerdiol 3-monoacetate

Details

Top
Internal ID ed03a0cf-ab28-4f25-9d7a-30b861e22186
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters
IUPAC Name [(3R,5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-yl] acetate
SMILES (Canonical) CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)OC(=O)C)O
SMILES (Isomeric) CCCCC[C@@H](C[C@@H](CCC1=CC(=C(C=C1)O)OC)OC(=O)C)O
InChI InChI=1S/C19H30O5/c1-4-5-6-7-16(21)13-17(24-14(2)20)10-8-15-9-11-18(22)19(12-15)23-3/h9,11-12,16-17,21-22H,4-8,10,13H2,1-3H3/t16-,17+/m0/s1
InChI Key OEGIGAPIFHYJOL-DLBZAZTESA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C19H30O5
Molecular Weight 338.40 g/mol
Exact Mass 338.20932405 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 4.20

Synonyms

Top
DTXSID701309171
(3R)-Acetoxy-(5S)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane
143519-17-9

2D Structure

Top
2D Structure of [6]-Gingerdiol 3-monoacetate

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL2581 P07339 Cathepsin D 99.27% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.36% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.23% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.66% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.09% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.40% 86.33%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 90.88% 95.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 90.10% 96.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 90.05% 97.25%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 89.39% 100.00%
CHEMBL1255126 O15151 Protein Mdm4 89.22% 90.20%
CHEMBL1907 P15144 Aminopeptidase N 87.74% 93.31%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.71% 95.50%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.54% 90.71%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 85.08% 92.08%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.18% 97.21%
CHEMBL2535 P11166 Glucose transporter 83.96% 98.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.90% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 82.36% 94.73%
CHEMBL5939 Q9NZ08 Endoplasmic reticulum aminopeptidase 1 82.29% 100.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.69% 95.89%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.51% 93.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.43% 96.00%
CHEMBL2413 P32246 C-C chemokine receptor type 1 80.31% 89.50%

Plants that contains it

Top
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.
Zingiber officinale

Cross-Links

Top
PubChem 129737753
LOTUS LTS0236396
wikiData Q105190251