D(+)-Glucose

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	512cc13c-b2eb-4f94-a5d0-ae1ce0bb25c7
Taxonomy	Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses
IUPAC Name	(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
SMILES (Canonical)	C(C(C(C(C(C=O)O)O)O)O)O
SMILES (Isomeric)	C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
InChI	InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1
InChI Key	GZCGUPFRVQAUEE-SLPGGIOYSA-N
Popularity	533,871 references in papers

Physical and Chemical Properties

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Molecular Formula	C₆H₁₂O₆
Molecular Weight	180.16 g/mol
Exact Mass	180.06338810 g/mol
Topological Polar Surface Area (TPSA)	118.00 Å²
XlogP	-2.90
Atomic LogP (AlogP)	-3.38
H-Bond Acceptor	6
H-Bond Donor	5
Rotatable Bonds	5

Synonyms

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RefChem:934733

GlyTouCan:G59743JO

G59743JO

D-(+)-Glucose

aldehydo-D-glucose

DL-Glucose

58367-01-4

Glucose [JAN]

D-(+)-Glucose, anhydrous

DTXSID4048729

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	-	0.4790	47.90%
Caco-2	-	0.9561	95.61%
Blood Brain Barrier	-	0.7000	70.00%
Human oral bioavailability	-	0.7857	78.57%
Subcellular localzation	Mitochondria	0.6838	68.38%
OATP2B1 inhibitior	-	0.8597	85.97%
OATP1B1 inhibitior	+	0.9601	96.01%
OATP1B3 inhibitior	+	0.9321	93.21%
MATE1 inhibitior	-	1.0000	100.00%
OCT2 inhibitior	-	1.0000	100.00%
BSEP inhibitior	-	0.9784	97.84%
P-glycoprotein inhibitior	-	0.9782	97.82%
P-glycoprotein substrate	-	0.9699	96.99%
CYP3A4 substrate	-	0.7223	72.23%
CYP2C9 substrate	-	1.0000	100.00%
CYP2D6 substrate	-	0.7995	79.95%
CYP3A4 inhibition	-	0.9065	90.65%
CYP2C9 inhibition	-	0.9411	94.11%
CYP2C19 inhibition	-	0.9420	94.20%
CYP2D6 inhibition	-	0.9366	93.66%
CYP1A2 inhibition	-	0.8505	85.05%
CYP2C8 inhibition	-	0.9923	99.23%
CYP inhibitory promiscuity	-	0.9652	96.52%
UGT catelyzed	+	0.9000	90.00%
Carcinogenicity (binary)	-	0.8500	85.00%
Carcinogenicity (trinary)	Non-required	0.7860	78.60%
Eye corrosion	-	0.9886	98.86%
Eye irritation	-	0.9789	97.89%
Skin irritation	-	0.7107	71.07%
Skin corrosion	-	0.9380	93.80%
Ames mutagenesis	-	0.9500	95.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.6918	69.18%
Micronuclear	-	0.8700	87.00%
Hepatotoxicity	-	0.8625	86.25%
skin sensitisation	-	0.9302	93.02%
Respiratory toxicity	+	0.7778	77.78%
Reproductive toxicity	-	0.9111	91.11%
Mitochondrial toxicity	+	0.7000	70.00%
Nephrotoxicity	+	0.5362	53.62%
Acute Oral Toxicity (c)	IV	0.6209	62.09%
Estrogen receptor binding	-	0.8640	86.40%
Androgen receptor binding	-	0.8579	85.79%
Thyroid receptor binding	-	0.6879	68.79%
Glucocorticoid receptor binding	-	0.5054	50.54%
Aromatase binding	-	0.8589	85.89%
PPAR gamma	-	0.9009	90.09%
Honey bee toxicity	-	0.9679	96.79%
Biodegradation	+	0.7500	75.00%
Crustacea aquatic toxicity	-	0.9900	99.00%
Fish aquatic toxicity	-	0.9544	95.44%

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
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	85.90%	97.29%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.60%	96.09%
CHEMBL2581	P07339	Cathepsin D	81.71%	98.95%
CHEMBL3145	P42338	PI3-kinase p110-beta subunit	80.49%	98.75%

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.

Alstroemeria revoluta

Amsonia grandiflora

Anethum graveolens

Annona squamosa