Select a section from the left sidebar
Stearic acid
- Family: Plantae - Fagaceae
- Kingdom: Fungi, Plantae
-
Class: Lipid
- Subclass: Fatty Acid
Canonical Smiles | CCCCCCCCCCCCCCCCCC(=O)O |
---|---|
InChI | InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20) |
InChIKey | QIQXTHQIDYTFRH-UHFFFAOYSA-N |
Formula | C18H36O2 |
HBA | 1 |
HBD | 1 |
MW | 284.48 |
Rotatable Bonds | 16 |
TPSA | 37.3 |
LogP | 6.33 |
Number Rings | 0 |
Number Aromatic Rings | 0 |
Heavy Atom Count | 20 |
Formal Charge | 0 |
Fraction CSP3 | 0.94 |
Exact Mass | 284.27 |
Number of Lipinski Rule Violations | 1 |
# | Species | Family | Kingdom | NCBI Taxonomy ID |
---|---|---|---|---|
1 | Crinum augustum | Amaryllidaceae | Plantae | 16055 |
2 | Hyphaene thebaica | Arecaceae | Plantae | 115479 |
3 | Euphorbia helioscopia | Euphorbiaceae | Plantae | 154990 |
4 | Nigrospora sphaerica | Trichosphaeriaceae | Fungi | 114231 |
5 | Juniperus phoenicea | Cupressaceae | Plantae | 61308 |
6 | Mkilua fragrans | Annonaceae | Plantae | 49754 |
7 | Escinops ellenbeckii | Asteraceae | Plantae | — |
8 | Vernonia galamensis | Asteraceae | Plantae | 83960 |
9 | Hypericum riparium | Guttiferae | Plantae | 269018 |
10 | Melilotus officinalis | Leguminosae/Fabaceae | Plantae | 47083 |
11 | Quercus suber | Fagaceae | Plantae | 58331 |
Showing of synonyms
Stearic acid
Octadecanoic acid
57-11-4
N-Octadecanoic acid
Stearophanic acid
Cetylacetic acid
1-Heptadecanecarboxylic acid
Pearl stearic
Stearex Beads
Octadecansaeure
Stearinsaeure
Vanicol
Hydrofol Acid 150
Century 1240
Glycon DP
Glycon TP
Formula 300
Hydrofol 1895
Hystrene 7018
Hystrene 9718
Glycon S-80
Glycon S-90
Octadecoic acid
Tegostearic 254
Tegostearic 255
Tegostearic 272
Hystrene 80
Hydrofol acid 1655
Hydrofol acid 1855
Hystrene S-97
Hystrene T-70
Industrene 5016
Dar-chem 14
Emersol 120
Emersol 132
Hystrene 4516
Hystrene 5016
Groco 54
Groco 55
Groco 55L
Groco 58
Groco 59
Glycon S-70
Industrene 8718
Industrene 9018
Emersol 150
Kam 1000
Barolub FTA
FEMA No. 3035
Acidum stearinicul
C18:0
Caswell No. 801D
Oktadekansaeure
HY-Phi 1199
HY-Phi 1205
HY-Phi 1303
HY-Phi 1401
Acide stearique
Kam 2000
Kam 3000
Century 1210
Acide octadecanoique
Stearic acid, pure
PD 185
NAA 173
CCRIS 2305
HSDB 2000
Emersol 153NF
Dervacid 3155
Purified stearic acid
Adeka sa 300
Century 1220
Century 1230
Emersol 6349
NSC 25956
Lunac S 40
Hydrofol Acid 1895
Promulsin
EPA Pesticide Chemical Code 079082
AI3-00909
UNII-4ELV7Z65AP
EINECS 200-313-4
N-Octadecylic acid
4ELV7Z65AP
NSC-25956
Pristerene 4900
Hystrene S 97
Hystrene T 70
Edenor ST 1
Sunfat 18S
BRN 0608585
Emersol 153
Selosol 920
Hystrene 9718NF
Kortacid 1895
Lunac 30
CH3-[CH2]16-COOH
DTXSID8021642
CHEBI:28842
Lunac S 30
Lunac S 90
Lunac S 90KC
Hystrene 9718NFFG
NSC-261168
17FA
DTXCID301642
EC 200-313-4
4-02-00-01206 (Beilstein Handbook Reference)
STEARIC ACID (II)
STEARIC ACID [II]
400JB9103-88
A 1760
STEARIC ACID (MART.)
STEARIC ACID [MART.]
STEARIC ACID (USP-RS)
STEARIC ACID [USP-RS]
CH3-(CH2)16-COOH
Oktadekansaure
STEARIC ACID (EP MONOGRAPH)
STEARIC ACID [EP MONOGRAPH]
200-313-4
Octadecansaure
Stearinsaure
Doctor Plus
Obeo Baby Bubble
Jinhwagwangsu Hair
Jinhwagwangsu Bubble
CELOZOLE
Fatty acid 18:0
NORSOREX AP
NEO-FAT 18S
NOPCOCERA LU 6418
CELLBN FIRST CARE CLEANSER
NAA 180
S 30C
ZENOL POWERFULX RECOVERYCREAM
STEARIC ACID (CONSTITUENT OF SAW PALMETTO)
18:0
Stearic acid (acgih)
Industrene R
Stearate
Humko Industrene R
Steric acid
Stearic acid 50
Hydrofol Acid 150 (VAN)
Prifac 2918
Vis-Plus
MFCD00002752
Stearic Acid Cherry
Edenor C18
Stearic acid (TN)
Loxiol G 20
Lunac S 20
CHEMBL46403
NSC25956
FA 18:0
NCGC00091596-02
Stearicacid
Lunac
CAS-57-11-4
Isostearic acid EX
Haimaric MKH(R)
Prisorine 3501
Prisorine 3502
Prisorine 3508
Emersol 871
Emersol 875
Emery 875D
Emery 871
Unimac 5680
C-Lube 10
Stearic acid [JAN:NF]
Stearophanate
Stearex
Tsubaki
N-Octadecanoate
Bassinic acid
Lactaric acid
Talgic acid
Edenor htict-n
Stearic acid?
1hmr
1hmt
4fnn
Kiri stearic acid
Lunac YA
Palmitostearic acid
Stearic acid 70
Stearic acid, CP
Sterene 60b
Sterene 60r
EINECS 250-178-0
F 3 (lubricant)
Industrene 4518
Nonsoul SK 1
Pristerene 4904
Pristerene 4910
Pristerene 4916
Pristerene 4963
Pristerene 4981
Pristerene 9429
Pristerene 9559
Pristerine 4989
Sterene 460
Industrene 5016K
Radiacid 0427
Edenor ST 20
Serfax MT 90
Stearic acid_ravikumar
Unister NAA 180
Century 1224
Edenor HT-JG 60
Stearic acid (8CI)
Stearic acid, puriss.
Hyfac 410
Hyfac 420
Hyfac 421
Hyfac 422
Hystrene 7018 FG
Lunac S 50
Lunac S 98
Prifac 5905
3v2p
875D
1-Heptadecanecarboxylate
Industrene 7018 FG
AFCO-Chem B 65
Heptadecanecarboxylic acid
Edenor C 18/98
Octadecanoic acid (9CI)
Stearic acid, >=98%
SCHEMBL659
Hystrene 9718 NF FG
Bmse000485
STEARIC ACID [MI]
Emery 400 (Salt/Mix)
STEARIC ACID [DSC]
STEARIC ACID [JAN]
Stearic acid (JP15/NF)
Stearic acid (JP18/NF)
Emersol 110 (Salt/Mix)
STEARIC ACID [FHFI]
STEARIC ACID [HSDB]
Stearic acid (reagent grade)
STEARIC ACID [VANDF]
WLN: QV17
STEARIC ACID [WHO-DD]
GTPL3377
WO 2
UNII-X33R8U0062
MSK1716
Nonsoul SN 1 (*Sodium salt*)
SNA-2000 (*Sodium salt*)
Stearic acid, analytical standard
VLZ 200
PURIFIED STEARIC ACID [NF]
Stearic acid, reagent grade, 95%
HY-B2219
Tox21_111154
Tox21_201887
Tox21_300562
BBL012224
BDBM50240485
LMFA01010018
S5733
SA 200
Stearic acid, >=95%, FCC, FG
STL163565
AKOS005716958
Tox21_111154_1
1ST1716
CCG-267314
DB03193
FA 1655
FS14761
NSC 261168
X33R8U0062
NCGC00091596-01
NCGC00091596-03
NCGC00091596-04
NCGC00091596-05
NCGC00254456-01
NCGC00259436-01
BP-14047
E570
MSK1716-1000
VS-03242
Stearic acid, puriss., >=98.5% (GC)
Stearic acid, SAJ first grade, >=90.0%
CS-0021598
G 270
NS00010335
S 300
S0163
EN300-19730
Stearic acid, SAJ special grade, >=95.0%
Stearic acid, Vetec(TM) reagent grade, 94%
1ST1716-1000
C01530
D00119
EC 250-178-0
F70008
SBI-0633521.0002
Stearic acid 50, tested according to Ph.Eur.
Octadecanoic acid Solution in Hexane, 1000?g/mL
Octadecanoic acid Solution in Hexane, 1000mug/mL
Q209685
SR-01000944717
Melting Point Standard 69-71C, analytical standard
SR-01000944717-1
Stearic acid, Grade I, >=98.5% (capillary GC)
Stearic acid, SAJ first grade, >=90.0%, powder
F0001-1489
STEARIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Stearic acid, certified reference material, TraceCERT(R)
Z104474964
CD7993EA-AD14-452A-A907-33376CC98790
Stearic acid, European Pharmacopoeia (EP) Reference Standard
Stearic acid, United States Pharmacopeia (USP) Reference Standard
Stearic Acid, Pharmaceutical Secondary Standard
Certified Reference Material
18639-67-3
InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20
- Hymete A, Rohloff J, et al. (2005). Acetylenic thiophenes from the roots of Escinops ellenbeckii from Ethiopia. Natural Product Research,2005,19(8),755-761. [View] [PubMed]
- El-Hafiz MAA. (1991). Aliphatic hydroxyketones from Crinum augustum. Phytochemistry,1991,30(9),3127-3129. [View]
- Baraza LD, Nkunya MH, et al. (2006). C18 tetraynoic fatty acids and essential oil composition of Mkilua fragrans. Natural Product Research,2006,20(2),187-193. [View] [PubMed]
- Simões R, Miranda I, et al. (2021). Chemical composition of leaf cutin in six Quercus suber provenances. Phytochemistry, 2021, 181, 112570. [View] [PubMed]
- Nasri N, Tlili N, et al. (2011). Chemical compounds from Phoenician juniper berries (Juniperus phoenicea). Natural Product Research,2011,25(18),1733-1742. [View]
- Mohamed AH, Hegazy MF, et al. (2012). Euphorbia helioscopia: Chemical constituents and biological activities. International Journal of Phytopharmacology,2012,3(1),78-90. [View]
- Metwaly AM, Kadry HA, et al. (2014). Nigrosphaerin A a new isochromene derivative from the endophytic fungus Nigrospora sphaerica. Phytochemistry Letters,2014,7,1-5. [View]
- Bedemo B, Fiseha A, et al. (2006). Phytochemical investigation on the seeds of Vernonia galamensis. M.Sc. Thesis-1, Addis Ababa University, Ethiopia,2006. [View] [PubMed]
- Sisay M.A, Mammo W, et al. (2021). Phytochemical studies of Melilotus officinalis. Bull. Chem. Soc. Ethiop. 2021, 35(1), 141-150.. [View]
- Eldahshan OA, Ayoub NA, et al. (2008). Potential superoxide anion radical scavenging activity of doum palm (Hyphaene thebaica L.) leaves extract. Records of Natural Products,2008,2(3),83-93. [View]
- Tanemossu SA, Franke K, et al. (2014). Rare biscoumarin derivatives and flavonoids from Hypericum riparium.. Phytochemistry,2014, 105, 171-177. [View] [PubMed]
Pubchem:
5281
Cas:
57-11-4
Gnps:
CCMSLIB00006410811
Zinc:
ZINC000004978673
Chebi:
28842
Nmrshiftdb2:
10016909
Metabolights:
MTBLC28842
Chembl:
CHEMBL46403
Comptox:
DTXSID8021642
Drugbank:
DB03193
Pdb Ligand:
STE
Bindingdb:
50240485
CPRiL:
261
No scaffolds available.
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.86
- Human Oral Bioavailability 20%
- Non-Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.99
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -2.79
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 1.51
- Plasma Protein Binding
- 43.58
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Inhibitor
- CYP 1A2 Inhibitor
- Non-Inhibitor
- CYP 1A2 Substrate
- Non-Substrate
- CYP 2C19 Inhibitor
- Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Non-Inhibitor
- CYP 2C9 Substrate
- 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
- 0.03
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 1.05
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Toxic
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 2.22
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 2.92
- 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
- 6.63
- Rat (Acute)
- 1.34
- Rat (Chronic Oral)
- 2.43
- Fathead Minnow
- 3.92
- Respiratory Disease
- Toxic
- Skin Sensitisation
- Toxic
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 361.91
- Hydration Free Energy
- -4.55
- Log(D) at pH=7.4
- 4.13
- Log(P)
- 8.14
- Log S
- -5.25
- Log(Vapor Pressure)
- -6.59
- Melting Point
- 75.06
- pKa Acid
- 4.95
- pKa Basic
- 8.66
Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
---|---|---|---|---|---|
thiamine diphosphokinase | Q82ZE3 | Q82ZE3_ENTFA | Enterococcus faecalis | 3 | 0.9281 |
thiamine diphosphokinase | Q82ZE3 | Q82ZE3_ENTFA | Enterococcus faecalis | 3 | 0.9281 |
Sodium/potassium-transporting ATPase subunit alpha | Q4H132 | Q4H132_SQUAC | Squalus acanthias | 2 | 0.7546 |
Sodium/potassium-transporting ATPase subunit alpha | Q4H132 | Q4H132_SQUAC | Squalus acanthias | 2 | 0.7546 |