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Beta-glucopyranose
- Family: Plantae - Pinaceae
- Kingdom: Plantae
-
Class: Flavonoid
- Subclass: Flavonol Glycoside
| Canonical Smiles | OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)O |
|---|---|
| InChI | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | WQZGKKKJIJFFOK-VFUOTHLCSA-N |
| Formula | C6H12O6 |
| HBA | 6 |
| HBD | 5 |
| MW | 180.16 |
| Rotatable Bonds | 1 |
| TPSA | 110.38 |
| LogP | -3.22 |
| Number Rings | 1 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Fraction CSP3 | 1.0 |
| Exact Mass | 180.06 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Cedrus atlantica | Pinaceae | Plantae | 123597 |
Showing of synonyms
Beta-glucopyranose
Glucoside
Beta-Dextrose
Glucosides
CHEBI:24278
Wqzgkkkjijffok-vfuothlcsa-n
Beta-D-glucose
Beta-D-glucopyranose
492-61-5
9001-37-0
28905-12-6
Beta-glucose
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
B-d-glucose
.beta.-D-Glucopyranose
.beta.-D-Glucose
Glucose oxidase
.beta.-d-Glucose, anhydrous
Grape sugar
CHEMBL1614854
CHEBI:15903
J4R00M814D
(2R,3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
4-Morpholineacetic acid, a-Methylene-, Methyl ester
128009-02-9
136760-05-9
Callose
ZYMOSAN
Oxidase, glucose
.beta.-D-ribo-Hexopyranose, 1,6-anhydro-3-deoxy-2-O-phenyl-4-O-(phenylmethyl)-
BGC
?-D-GLUCOSE
Glucose, (beta-D)-Isomer
UNII-J4R00M814D
Beta-D-Glucopyranose, anhydrous
Beta-d-glucoside
Beta -d-glucose
-D-glucose
Beta-D-glucosides
Beta-D-Glc
A beta-D-glucoside
EINECS 207-756-2
Beta-(1,3)-glucan
I(2)-D-Glucopyranose
?-1,3-Glucan
Beta-D-glucose anhydrous
B-D-Glucose - 85%
B-D-Glucose - 95%
Beta-d-glucose, anhydrous
GLUCOSE, BETA-D-
(1,2-beta-D-glucosyl)n
(1->2)-beta-D-glucan
(1->3)-beta-D-glucan
(1->6)-beta-D-glucan
GLUCOSE, .BETA.-D
SCHEMBL25601
(1->2)-beta-D-glucopyranan
(1->3)-beta-D-glucopyranan
(1->6)-beta-D-glucopyranan
CHEBI:18246
CHEBI:22798
CHEBI:27380
CHEBI:27517
CHEBI:37671
DTXSID70883403
Pharmakon1600-01300015
.BETA.-D-GLUCOSE ANHYDROUS
D-glucose
Glucose
BDBM50240803
MFCD00063989
NSC759603
AKOS016010209
DB02379
MG09278
MG64956
NSC-759603
YC46078
?-D-Glucose (contains alpha-D-Glucose)
NCGC00263446-02
Beta-D-glucose(contains alpha-D-glucose)
BS-22220
DA-62543
HY-121965
CS-0083772
G0047
NS00069369
C00221
D90709
AE-562/43459286
6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol
Q23905968
50986-29-3
- Maya B, Abedini A, et al. (2017). A new δ-tocotrienolic acid derivative and other constituents from the cones of Cedrus atlantica and their in vitro antimicrobial activity. Phytochemistry Letters, 2017, 20, 252-258. [View]
Pubchem:
64689
Cas:
492-61-5
Gnps:
CCMSLIB00005758533
Zinc:
ZINC000003833800
Kegg Ligand:
C00221
Chebi:
15903
Nmrshiftdb2:
20027186
Metabolights:
MTBLC15903
Chembl:
CHEMBL1614854
Comptox:
DTXSID70883403
Drugbank:
DB02379
Pdb Ligand:
BGC
Bindingdb:
50240803
CPRiL:
102013
SMILES: C1CCOCC1
Level: 0
Mol. Weight: 180.16 g/mol
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -5.24
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -2.920
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -2.55
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 0.420
- Plasma Protein Binding
- 33.17
- 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
- 2.390
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Toxic
- Bioconcentration Factor
- -1.620
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Safe
- Liver Injury I (DILI)
- Toxic
- Eye Corrosion
- Safe
- Eye Irritation
- Safe
- Maximum Tolerated Dose
- 2.510
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 3.340
- 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
- -2.700
- Rat (Acute)
- 1.040
- Rat (Chronic Oral)
- 2.890
- Fathead Minnow
- 0.940
- 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
- 379.790
- Hydration Free Energy
- -25.610
- Log(D) at pH=7.4
- -2.570
- Log(P)
- -2.98
- Log S
- 0.19
- Log(Vapor Pressure)
- -12.39
- Melting Point
- 150.11
- pKa Acid
- 8.59
- pKa Basic
- 3.55
| Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
|---|---|---|---|---|---|
| Serpin domain-containing protein | H0ZQY2 | H0ZQY2_TAEGU | Taeniopygia guttata | 3 | 0.8495 |
| Laminarinase | Q9WXN1 | Q9WXN1_THEMA | Thermotoga maritima | 3 | 0.8225 |
| beta-glucosidase | Q92AS9 | Q92AS9_LISIN | Listeria innocua serovar 6a | 3 | 0.7831 |
| Xylose isomerase | P24300 | XYLA_STRRU | Streptomyces rubiginosus | 3 | 0.7748 |
| Macrophage metalloelastase | P39900 | MMP12_HUMAN | Homo sapiens | 3 | 0.7169 |