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1-(stearoyl)-glycerol
- Family: Plantae - Dracaenaceae
- Kingdom: Plantae
- Class: Glycol
| Canonical Smiles | CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O |
|---|---|
| InChI | InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3 |
| InChIKey | VBICKXHEKHSIBG-UHFFFAOYSA-N |
| Formula | C21H42O4 |
| HBA | 4 |
| HBD | 2 |
| MW | 358.56 |
| Rotatable Bonds | 19 |
| TPSA | 66.76 |
| LogP | 5.14 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.95 |
| Exact Mass | 358.31 |
| Number of Lipinski Rule Violations | 1 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Sansevieria trifasciata | Dracaenaceae | Plantae | 39534 |
Showing of synonyms
1-(stearoyl)-glycerol
Glyceryl monostearate
GLYCEROL MONOSTEARATE
Tegin
Glycerin 1-monostearate
Stearin, 1-mono-
Stearic acid 1-monoglyceride
1-Glyceryl stearate
Glycerin 1-stearate
Sandin EU
Aldo MSD
Aldo MSLG
Glyceryl 1-monostearate
Stearoylglycerol
Alpha-Monostearin
Tegin 55G
Emerest 2407
Aldo 33
Aldo 75
Glycerin monostearate
3-Stearoyloxy-1,2-propanediol
Cerasynt SD
Monoglyceryl stearate
Glycerol alpha-monostearate
Cefatin
Dermagine
Monelgin
Sedetine
Admul
Orbon
Citomulgan M
Drewmulse V
Cerasynt S
Drewmulse TP
Tegin 515
Cerasynt SE
Cerasynt WM
Cyclochem GMS
Drumulse AA
Protachem GMS
Witconol MS
Witconol MST
FEMA No. 2527
Monostearate (glyceride)
Stearin, mono-
Unimate GMS
Glyceryl monooctadecanoate
Ogeen M
Emcol CA
Emcol MSK
Hodag GMS
Ogeen GRB
Ogeen MAV
Aldo MS
Aldo HMS
Armostat 801
Kessco 40
Stearic monoglyceride
Abracol S.L.G.
Arlacel 161
Arlacel 169
Imwitor 191
Imwitor 900K
NSC 3875
Atmul 67
Atmul 84
Starfol GMS 450
Starfol GMS 600
Starfol GMS 900
Cerasynt 1000-D
Emerest 2401
Aldo-28
Aldo-72
Atmos 150
Atmul 124
Estol 603
Ogeen 515
Tegin 503
Grocor 5500
Grocor 6000
Glycerol stearate, pure
Stearic acid alpha-monoglyceride
Cremophor gmsk
Glyceryl 1-octadecanoate
Cerasynt-sd
Lonzest gms
Cutina gms
Lipo GMS 410
Lipo GMS 450
Lipo GMS 600
Glycerol stearate
Nikkol mgs-a
Glyceryl monopalmitostearate
USAF KE-7
EMUL P.7
EINECS 204-664-4
EINECS 245-121-1
Stearic acid, monoester with glycerol
Glyceroli monostearas
Imwitor 491
Sorbon mg-100
Cithrol gms 0400
UNII-258491E1RZ
(1)-2,3-Dihydroxypropyl stearate
NSC-3875
1-Monooctadecanoylglycerol
EINECS 250-705-4
1,2,3-Propanetriol monooctadecanoate
GLYCERYL 1-STEARATE
AI3-00966
EC 250-705-4
GLYCERYL MONOSTEARATE 40-50
UNII-230OU9XXE4
Celinhol-A
GLYCERYL STEARATE (II)
230OU9XXE4
DTXSID7027968
GLYCERYL MONOSTEARATE (II)
EINECS 293-208-8
(+-)-2,3-dihydroxypropyl octadecanoate
EC 293-208-8
123-94-4
Monostearin
31566-31-1
Glyceryl stearate
1-Stearoyl-rac-glycerol
2,3-dihydroxypropyl octadecanoate
1-MONOSTEARIN
Glycerol 1-monostearate
Glycerol 1-stearate
1-Monostearoylglycerol
Octadecanoic acid, 2,3-dihydroxypropyl ester
11099-07-3
Arlacel 165
.alpha.-Monostearin
Glyceryl stearates
Octadecanoic acid, ester with 1,2,3-propanetriol
2,3-Dihydroxypropyl stearate
Glycerol monostearate, purified
1-MONOSTEAROYL-rac-GLYCEROL
1-octadecanoyl-rac-glycerol
22610-63-5
Glycerol .alpha.-monostearate
NSC3875
1-Stearoyl-rac-glycerol (90%)
Stearic acid .alpha.-monoglyceride
MONOSTEARIN (L)
MG(18:0/0:0/0:0)[rac]
85666-92-8
DTXSID7029160
CHEBI:75555
MFCD00036186
Octadecanoic acid, monoester with 1,2,3-propanetriol
258491E1RZ
1-Stearoyl-rac-glycerol (90per cent)
NCGC00164529-01
DTXCID909160
(R)-2,3-Dihydroxypropyl stearate
Celinhol - A
CAS-123-94-4
Myvaplex 600
Rac-Glycerol 1-stearate
C21H42O4
1-Monooctadecanoyl-rac-glycerol
Glyceryl monostearate [JAN:NF]
MG 18:0
(+/-)-2,3-Dihydroxypropyl octadecanoate
Eastman 600
1-O-stearoylglycerol
1-octadecanoylglycerol
Rac-octadecanoylglycerol
Glycerol 1-octadecanoate
Rac-glyceryl monostearate
Glycerol .alpha.-sterate
Rac-1-monostearoylglycerol
DSSTox_CID_9160
Monoglycerides, c16-18
(+-)-1-stearoylglycerol
SCHEMBL4488
(+-)-glyceryl monostearate
Geleol mono and diglycerides
DSSTox_RID_78757
DSSTox_GSID_29304
(+-)-1-monostearoylglycerol
(+-)-1-octadecanoylglycerol
Glycerides, C16-18 mono-
Glycerol monostearate 40-55
CHEMBL255696
2,3-Dihydroxypropyl stearate #
CHEBI:75557
MSK2017
Glyceryl monostearate (JP17/NF)
1-Stearoyl-rac-glycerol, >=99%
HY-Y1039
MAG 18:0
EINECS 238-880-5
Tox21_112160
Tox21_202573
Tox21_301104
LMGL01010003
Rac-2,3-dihydroxypropyl octadecanoate
AKOS015901589
Tox21_112160_1
1ST2017
DB11250
FG32028
FS27876
MSK2017-100
NCGC00164529-02
NCGC00164529-03
NCGC00164529-04
NCGC00255004-01
NCGC00260122-01
Octadecanoic acid,3-dihydroxypropyl ester
1,2,3-Propanetriol 1-octadecanoyl ester
BS-50505
FG174814
CAS-11099-07-3
HY-151226
G0085
NS00006688
Octadecanoic acid, 2.3-dihydroxypropyl ester
1ST2017-100
D01947
F71433
SBI-0654053.0001
A903419
SR-01000944874
Q5572563
SR-01000944874-1
BRD-A31454688-001-01-6
1-Stearoyl-rac-glycerol Solution in Toluene, 100?g/mL
1-Stearoyl-rac-glycerol Solution in Toluene, 100mug/mL
Octadecanoic acid, 2,3-dihydroxypropyl ester, (+/-)-
Octadecanoic acid, 2,3-dihydroxypropyl ester, (A+/-)-
Octadecanoic acid 2,3-dihydroxypropyl ester
Monoglycerides
()-2,3-Dihydroxypropyl octadecanoate
InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H
- Tchegnitegni B, Teponno R, et al. (2015). Sappanin-type homoisoflavonoids from Sansevieria trifasciata Prain. Phytochemistry Letters, 2015, 12, 262-266. [View]
Pubchem:
24699
Cas:
123-94-4
Gnps:
CCMSLIB00003139547
Chebi:
75555
Nmrshiftdb2:
20096847
Metabolights:
MTBLC75555
Chembl:
CHEMBL255696
Comptox:
DTXSID7029160
Drugbank:
DB11250
CPRiL:
78131
No scaffolds available.
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -5.35
- Human Oral Bioavailability 20%
- Non-Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.79
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Substrate
- Skin Permeability
- -3.17
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 1.76
- Plasma Protein Binding
- 20.44
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- 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
- 5.2
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 0.6
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Safe
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 2.17
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 4.28
- 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
- 5.44
- Rat (Acute)
- 1.47
- Rat (Chronic Oral)
- 2.86
- Fathead Minnow
- 3.93
- 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
- 416.4
- Hydration Free Energy
- -6.89
- Log(D) at pH=7.4
- 3.98
- Log(P)
- 7.14
- Log S
- -5.98
- Log(Vapor Pressure)
- -7.86
- Melting Point
- 62.74
- pKa Acid
- 9.91
- pKa Basic
- 5.05
| Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
|---|---|---|---|---|---|
| Macrophage metalloelastase | P39900 | MMP12_HUMAN | Homo sapiens | 3 | 0.9447 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.8914 |
| Glucosidase II subunit alpha | Q9STC1 | Q9STC1_GRALE | Gracilariopsis lemaneiformis | 3 | 0.8851 |
| Iota toxin component Ia | Q46220 | Q46220_CLOPF | Clostridium perfringens | 3 | 0.8571 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.8074 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.8034 |
| Glycogen synthase | P0A6U8 | GLGA_ECOLI | Escherichia coli | 3 | 0.7999 |
| Purine nucleoside phosphorylase DeoD-type | P0ABP8 | DEOD_ECOLI | Escherichia coli | 3 | 0.7921 |
| Actin, alpha skeletal muscle | P68135 | ACTS_RABIT | Oryctolagus cuniculus | 3 | 0.7615 |
| Genome polyprotein | O92972 | POLG_HCVJ4 | Hepatitis C virus genotype 1b | 2 | 0.7239 |
| Lysozyme C II | P11941 | LYSC2_ONCMY | Oncorhynchus mykiss | 3 | 0.7159 |
| Carbonic anhydrase 1 | P00915 | CAH1_HUMAN | Homo sapiens | 2 | 0.7021 |