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Glucose
- Family: Plantae - Resedaceae
- Kingdom: Plantae
- Class: Sugar
| Canonical Smiles | OC[C@H]([C@H]([C@@H]([C@H](C=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 |
| InChIKey | GZCGUPFRVQAUEE-SLPGGIOYSA-N |
| Formula | C6H12O6 |
| HBA | 6 |
| HBD | 5 |
| MW | 180.16 |
| Rotatable Bonds | 5 |
| TPSA | 118.22 |
| LogP | -3.38 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.83 |
| Exact Mass | 180.06 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Oligomeris linifolia | Resedaceae | Plantae | 265230 |
Showing of synonyms
Glucose
DL-Glucose
58367-01-4
DTXSID4048729
DTXCID701436386
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
Dextrose Anhydrous
Glucose Anhydrous
Dextrose, anhydrous
5SL0G7R0OK
CHEBI:42758
815-92-9
Glucose, liquid
28823-03-2
Glucopur
GLO
(14C)-Glucose
(14C)D-Glucose
(C13)D-Glucose
(U-14C)Glucose
Glucose (C-13)
Glucose (C-14)
D-(U-14C)Glucose
Glucose, liquid [NF]
8027-56-3
(U-13C)-D-glucose
Insta-Glucose
D-Glucose, labeled with tritium
NSC-406891
NCGC00159408-02
D-Glucose, labeled with carbon-13
D-Glucose, labeled with carbon-14
Glucose-40
Dextrose (D-glucose)
D-Glucose (Standard)
D-Glucose - anhydrous
D(+)-Glucose
Anhydrous dextrose (open form)
GLUCOSE [EP MONOGRAPH]
CHEMBL448805
ANHYDROUS DEXTROSE [II]
Dextrosum (Glucosum) anhydricum
HY-B0389R
MSK3203
D-(+)-Glucose pound notanhydrous
D-Glucose
Grape sugar
Glucopyranose
HY-B0389
Tox21_113165
Tox21_200145
MFCD00148912
S2123
AKOS006239080
CCG-266428
DB01914
MG08747
CAS-50-99-7
NCGC00257699-01
NCGC00386163-02
19030-38-7
ANHYDROUS DEXTROSE [USP MONOGRAPH]
OM168412
Maltodextrin - dextrose equivalent 18-28
CAS-58367-01-4
DB-230493
DB-264747
NS00007629
NS00081306
SW220288-1
D85170
EN300-109407
SBI-0633535.0002
AB01274744-01
AB01274744_02
A828386
BRD-K51431759-001-02-9
Q21036645
Rel-(2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanal
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanal
Z1201619321
109427F7-ABCA-4F12-91AE-01BC27C22B31
DEXTROSE (CONSTITUENT OF CRANBERRY LIQUID PREPARATION) [DSC]
D-GLUCOSE,2-(ACETYLAMINO)-4-O-[2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-B-D-GALACTOPYRANOSYL]-2-DEOXY-
- Hussein SR, Elkhateeb A, et al. (2013). Phytochemical investigation of Oligomeris linifolia (Vahl) Macbr. (Resedaceae). Biochemical Systematics and Ecology,2013,49,73-76. [View]
Pubchem:
107526
Cas:
58367-01-4
Gnps:
CCMSLIB00000081789
Zinc:
ZINC000100009383
Chebi:
42758
Nmrshiftdb2:
60020289
Metabolights:
MTBLC42758
Chembl:
CHEMBL448805
Comptox:
DTXSID7022910
Drugbank:
DB01914
Pdb Ligand:
GLO
Selleck:
Dextrose(D-glucose)
CPRiL:
134
No scaffolds available.
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -5.12
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Non-Absorbed
- Madin-Darby Canine Kidney
- -3.22
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -1.64
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Non-Penetrable
- Fraction Unbound (Human)
- 0.34
- Plasma Protein Binding
- 33.76
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Non-Inhibitor
- CYP 1A2 Substrate
- Non-Substrate
- CYP 2C19 Inhibitor
- Non-Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Non-Inhibitor
- CYP 2C9 Substrate
- Non-Substrate
- CYP 2D6 Inhibitor
- Non-Inhibitor
- CYP 2D6 Substrate
- Non-Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Non-Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 3.53
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Toxic
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- -2.7
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Safe
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Safe
- Eye Irritation
- Safe
- Maximum Tolerated Dose
- 2.17
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 3.79
- Micronucleos
- Safe
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Safe
- NR-PPAR-gamma
- Safe
- NR-TR
- Safe
- T. Pyriformis
- -3.4
- Rat (Acute)
- 1.5
- Rat (Chronic Oral)
- 2.74
- Fathead Minnow
- 1.4
- Respiratory Disease
- Safe
- Skin Sensitisation
- Toxic
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 414.26
- Hydration Free Energy
- -22.88
- Log(D) at pH=7.4
- -2.55
- Log(P)
- -2.59
- Log S
- 0.05
- Log(Vapor Pressure)
- -13.13
- Melting Point
- 148.48
- pKa Acid
- 6.65
- pKa Basic
- 5.43
| Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
|---|---|---|---|---|---|
| Macrophage metalloelastase | P39900 | MMP12_HUMAN | Homo sapiens | 3 | 0.9445 |
| Macrophage metalloelastase | P39900 | MMP12_HUMAN | Homo sapiens | 3 | 0.9445 |
| Serpin domain-containing protein | H0ZQY2 | H0ZQY2_TAEGU | Taeniopygia guttata | 3 | 0.8995 |
| Serpin domain-containing protein | H0ZQY2 | H0ZQY2_TAEGU | Taeniopygia guttata | 3 | 0.8995 |
| Xylose isomerase | P24300 | XYLA_STRRU | Streptomyces rubiginosus | 3 | 0.8760 |
| Xylose isomerase | P24300 | XYLA_STRRU | Streptomyces rubiginosus | 3 | 0.8760 |
| Gag-Pol polyprotein | P0C6F2 | POL_HV1LW | Human immunodeficiency virus type 1 group M subtype B | 3 | 0.8485 |
| Gag-Pol polyprotein | P0C6F2 | POL_HV1LW | Human immunodeficiency virus type 1 group M subtype B | 3 | 0.8485 |
| Lysozyme C II | P11941 | LYSC2_ONCMY | Oncorhynchus mykiss | 3 | 0.8438 |
| Lysozyme C II | P11941 | LYSC2_ONCMY | Oncorhynchus mykiss | 3 | 0.8438 |
| Iota toxin component Ia | Q46220 | Q46220_CLOPF | Clostridium perfringens | 3 | 0.8425 |
| Iota toxin component Ia | Q46220 | Q46220_CLOPF | Clostridium perfringens | 3 | 0.8425 |
| Beta-glucosidase 1A | Q25BW5 | BGL1A_PHACH | Phanerodontia chrysosporium | 3 | 0.8267 |
| Beta-glucosidase 1A | Q25BW5 | BGL1A_PHACH | Phanerodontia chrysosporium | 3 | 0.8267 |
| Regucalcin | Q64374 | RGN_MOUSE | Mus musculus | 3 | 0.8252 |
| Regucalcin | Q64374 | RGN_MOUSE | Mus musculus | 3 | 0.8252 |
| Iota toxin component Ia | Q46220 | Q46220_CLOPF | Clostridium perfringens | 3 | 0.8244 |
| Iota toxin component Ia | Q46220 | Q46220_CLOPF | Clostridium perfringens | 3 | 0.8244 |
| Aldos-2-ulose dehydratase | P84193 | AUD_PHACH | Phanerodontia chrysosporium | 3 | 0.8162 |
| Aldos-2-ulose dehydratase | P84193 | AUD_PHACH | Phanerodontia chrysosporium | 3 | 0.8162 |
| Carbonic anhydrase 1 | P00915 | CAH1_HUMAN | Homo sapiens | 3 | 0.8087 |
| Carbonic anhydrase 1 | P00915 | CAH1_HUMAN | Homo sapiens | 3 | 0.8087 |
| Glycogenin-1 | P46976 | GLYG_HUMAN | Homo sapiens | 3 | 0.8071 |
| Glycogenin-1 | P46976 | GLYG_HUMAN | Homo sapiens | 3 | 0.8071 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7956 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7956 |
| Tachylectin-2 | Q27084 | TAL2_TACTR | Tachypleus tridentatus | 4 | 0.7859 |
| Tachylectin-2 | Q27084 | TAL2_TACTR | Tachypleus tridentatus | 4 | 0.7859 |
| Aldos-2-ulose dehydratase | P84193 | AUD_PHACH | Phanerodontia chrysosporium | 3 | 0.7665 |
| Aldos-2-ulose dehydratase | P84193 | AUD_PHACH | Phanerodontia chrysosporium | 3 | 0.7665 |
| Ascorbate-specific PTS system EIIC component | P39301 | ULAA_ECOLI | Escherichia coli | 3 | 0.7652 |
| Ascorbate-specific PTS system EIIC component | P39301 | ULAA_ECOLI | Escherichia coli | 3 | 0.7652 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7600 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7600 |
| 4-alpha-glucanotransferase | O87172 | MALQ_THETH | Thermus thermophilus | 3 | 0.7531 |
| 4-alpha-glucanotransferase | O87172 | MALQ_THETH | Thermus thermophilus | 3 | 0.7531 |
| Lactose operon repressor | P03023 | LACI_ECOLI | Escherichia coli | 3 | 0.7363 |
| Lactose operon repressor | P03023 | LACI_ECOLI | Escherichia coli | 3 | 0.7363 |
| Replicase polyprotein 1ab | P0C6X7 | R1AB_CVHSA | Human SARS coronavirus | 4 | 0.7255 |
| Replicase polyprotein 1ab | P0C6X7 | R1AB_CVHSA | Human SARS coronavirus | 4 | 0.7255 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7217 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7217 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | Q9UNA0 | ATS5_HUMAN | Homo sapiens | 4 | 0.7130 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | Q9UNA0 | ATS5_HUMAN | Homo sapiens | 4 | 0.7130 |
| Carbonic anhydrase 2 | P00918 | CAH2_HUMAN | Homo sapiens | 3 | 0.7095 |
| Carbonic anhydrase 2 | P00918 | CAH2_HUMAN | Homo sapiens | 3 | 0.7095 |
| Phenylalanine-4-hydroxylase | P00439 | PH4H_HUMAN | Homo sapiens | 3 | 0.7031 |
| Phenylalanine-4-hydroxylase | P00439 | PH4H_HUMAN | Homo sapiens | 3 | 0.7031 |
| Laminarinase | Q9WXN1 | Q9WXN1_THEMA | Thermotoga maritima | 3 | 0.7028 |
| Laminarinase | Q9WXN1 | Q9WXN1_THEMA | Thermotoga maritima | 3 | 0.7028 |