[6]-Gingerdiol

Details

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Internal ID 670330b0-0483-41ec-9ce0-d88fbd72dbc7
Taxonomy Benzenoids > Phenols > Methoxyphenols > Gingerdiols
IUPAC Name 1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
SMILES (Canonical) CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O
SMILES (Isomeric) CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O
InChI InChI=1S/C17H28O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14-15,18-20H,3-7,9,12H2,1-2H3
InChI Key QYXKQNMJTHPKBP-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C17H28O4
Molecular Weight 296.40 g/mol
Exact Mass 296.19875937 g/mol
Topological Polar Surface Area (TPSA) 69.90 Ų
XlogP 3.00

Synonyms

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Compound NP-023034
MEGxp0_001212
SCHEMBL8231013
ACon1_001176
AKOS040737564
NCGC00169604-01
1-(4-hydroxy-3-methoxyphenyl)-3,5-decanediol
1-(4-hydroxy-3-methoxy-phenyl)decane-3,5-diol
3,5-Decanediol, 1-(4-hydroxy-3-methoxyphenyl)-
BRD-A04398088-001-01-4

2D Structure

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2D Structure of [6]-Gingerdiol

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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 98.45% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.13% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.61% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.58% 99.17%
CHEMBL1907 P15144 Aminopeptidase N 93.59% 93.31%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 92.37% 95.17%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.14% 97.25%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 91.32% 92.08%
CHEMBL240 Q12809 HERG 91.04% 89.76%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.47% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.34% 94.45%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 88.87% 100.00%
CHEMBL1255126 O15151 Protein Mdm4 88.00% 90.20%
CHEMBL2535 P11166 Glucose transporter 87.49% 98.75%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.57% 90.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.14% 95.89%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 81.61% 92.88%
CHEMBL5939 Q9NZ08 Endoplasmic reticulum aminopeptidase 1 81.42% 100.00%

Plants that contains it

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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

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PubChem 5275727
LOTUS LTS0127109
wikiData Q105231051