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Lauric acid
- Family: Plantae - Myrsinaceae
- Kingdom: Plantae
-
Class: Lipid
- Subclass: Fatty Acid
| Canonical Smiles | CCCCCCCCCCCC(=O)O |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) |
| InChIKey | POULHZVOKOAJMA-UHFFFAOYSA-N |
| Formula | C12H24O2 |
| HBA | 1 |
| HBD | 1 |
| MW | 200.32 |
| Rotatable Bonds | 10 |
| TPSA | 37.3 |
| LogP | 3.99 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.92 |
| Exact Mass | 200.18 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Hyphaene thebaica | Arecaceae | Plantae | 115479 |
| 2 | Euphorbia helioscopia | Euphorbiaceae | Plantae | 154990 |
| 3 | Embelia schimperi | Myrsinaceae | Plantae | 2595069 |
Showing of synonyms
Lauric acid
DODECANOIC ACID
143-07-7
N-Dodecanoic acid
Dodecylic acid
Laurostearic acid
Vulvic acid
Dodecoic acid
Duodecylic acid
1-Undecanecarboxylic acid
Aliphat No. 4
Ninol AA62 Extra
Wecoline 1295
Hydrofol acid 1255
Hydrofol acid 1295
Duodecyclic acid
Hystrene 9512
Univol U-314
Lauric acid, pure
Lauric acid (natural)
Laurinsaeure
Undecane-1-carboxylic acid
ABL
NSC-5026
FEMA No. 2614
C-1297
Philacid 1200
CCRIS 669
C12:0
Emery 651
Lunac L 70
CHEBI:30805
HSDB 6814
EINECS 205-582-1
UNII-1160N9NU9U
BRN 1099477
Kortacid 1299
DTXSID5021590
AI3-00112
Lunac L 98
Univol U 314
Prifac 2920
1160N9NU9U
DAO
DTXCID801590
CH3-[CH2]10-COOH
EC 205-582-1
4-02-00-01082 (Beilstein Handbook Reference)
LAURIC ACID (USP-RS)
LAURIC ACID [USP-RS]
CH3-(CH2)10-COOH
205-582-1
8000-62-2
Laurinsaure
Nuvail
Fatty acid 12:0
NAA 122
NAA 312
HYDROFOL ACID 1255 OR 1295
LAURIC ACID (CONSTITUENT OF SAW PALMETTO)
203714-07-2
606-539-3
616-324-6
616-778-5
617-074-0
7632-48-6
Dodecylcarboxylate
Laurate
MFCD00002736
N-Dodecanoate
Dodecanoic Acid Anion
Prifrac 2920
NSC5026
Dodecylate
Laurostearate
Vulvate
DODECANOIC ACID (LAURIC ACID)
1-undecanecarboxylate
CAS-143-07-7
SMR001253907
Dodecanic acid
Lauric-acid
Acide Laurique
3uil
Lauric acid (NF)
DODECANOICACID
Lauric Acid, Reagent
Nissan NAA 122
Emery 650
Dodecanoic acid, 98%
Dodecanoic acid, 99%
Lauric acid (Standard)
Dodecanoic (Lauric) acid
LAURIC ACID [MI]
Bmse000509
LAURIC ACID [FCC]
LAURIC ACID [FHFI]
SCHEMBL5895
NCIOpen2_009480
MLS002177807
MLS002415737
WLN: QV11
Dodecanoic acid (lauric acid)
LAURIC ACID [WHO-DD]
Dodecanoic acid, >=99.5%
Edenor C 1298-100
DODECANOIC ACID [HSDB]
CHEMBL108766
GTPL5534
HY-Y0366R
HMS2268C14
HMS3649N06
HY-Y0366
STR08039
Dodecanoic acid, analytical standard
Lauric acid, >=98%, FCC, FG
Tox21_202149
Tox21_303010
BDBM50180948
LMFA01010012
S4726
STL281860
AKOS000277433
CCG-266587
DB03017
FA 12:0
FD16220
NCGC00090919-01
NCGC00090919-02
NCGC00090919-03
NCGC00256486-01
NCGC00259698-01
AC-16451
BP-27913
DA-64879
Dodecanoic acid, >=99% (GC/titration)
LAU
Dodecanoic acid, purum, >=96.0% (GC)
Lauric acid, natural, >=98%, FCC, FG
CS-0015078
L0011
NS00008441
EN300-19951
C02679
D10714
Q422627
SR-01000838338
SR-01000838338-3
BRD-K67375056-001-07-9
F0001-0507
LAURIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
Z104476194
76C2A2EB-E8BA-40A6-8032-40A98625ED7B
Lauric acid, European Pharmacopoeia (EP) Reference Standard
Lauric acid, United States Pharmacopeia (USP) Reference Standard
Lauric Acid, Pharmaceutical Secondary Standard
Certified Reference Material
InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14
- Tessema EN, Neubert R, et al. (2018). Anthelmintic activity-guided fractionation and GC-MS analysis of extracts from Embelia schimperi fruits. International Journal of Applied Research in Natural Products,2018,11(1),11-16.. [View] [PubMed]
- Mohamed AH, Hegazy MF, et al. (2012). Euphorbia helioscopia: Chemical constituents and biological activities. International Journal of Phytopharmacology,2012,3(1),78-90. [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]
Pubchem:
3893
Cas:
143-07-7
Gnps:
CCMSLIB00000426321
Zinc:
ZINC000001529498
Kegg Ligand:
C02679
Chebi:
30805
Nmrshiftdb2:
10008731
Metabolights:
MTBLC30805
Chembl:
CHEMBL108766
Comptox:
DTXSID5021590
Drugbank:
DB03017
Pdb Ligand:
DAO
Bindingdb:
50180948
CPRiL:
623
No scaffolds available.
Anthelmintic
Absorption
- Caco-2 (logPapp)
- -4.74
- Human Oral Bioavailability 20%
- Non-Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -4.0
- Human Oral Bioavailability 50%
- Non-Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -2.53
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 0.87
- Plasma Protein Binding
- 39.04
- 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
- 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
- 0.63
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 1.15
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 2.17
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 2.61
- 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
- 4.44
- Rat (Acute)
- 1.42
- Rat (Chronic Oral)
- 2.11
- Fathead Minnow
- 3.91
- 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
- 292.78
- Hydration Free Energy
- -5.66
- Log(D) at pH=7.4
- 2.5
- Log(P)
- 5.03
- Log S
- -3.96
- Log(Vapor Pressure)
- -4.47
- Melting Point
- 35.27
- pKa Acid
- 4.84
- pKa Basic
- 8.59
| Protein Name | UniProt ID | Entry Name | Species | #Pharmacophore Points | Probability (0.7 ≤ Tversky Score ≤ 1.0) |
|---|---|---|---|---|---|
| thiamine diphosphokinase | Q82ZE3 | Q82ZE3_ENTFA | Enterococcus faecalis | 3 | 0.9919 |
| thiamine diphosphokinase | Q82ZE3 | Q82ZE3_ENTFA | Enterococcus faecalis | 3 | 0.9919 |
| Phospholipase A2, major isoenzyme | P00592 | PA21B_PIG | Sus scrofa | 3 | 0.9624 |
| Phospholipase A2, major isoenzyme | P00592 | PA21B_PIG | Sus scrofa | 3 | 0.9624 |
| 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | P9WNH5 | HSAD_MYCTU | Mycobacterium tuberculosis | 3 | 0.9560 |
| 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | P9WNH5 | HSAD_MYCTU | Mycobacterium tuberculosis | 3 | 0.9560 |
| Methylketone synthase I | E0YCS2 | E0YCS2_SOLHA | Solanum habrochaites | 3 | 0.8363 |
| Methylketone synthase I | E0YCS2 | E0YCS2_SOLHA | Solanum habrochaites | 3 | 0.8363 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.8274 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.8274 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7692 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7692 |
| Sodium/potassium-transporting ATPase subunit alpha | Q4H132 | Q4H132_SQUAC | Squalus acanthias | 2 | 0.7561 |
| Sodium/potassium-transporting ATPase subunit alpha | Q4H132 | Q4H132_SQUAC | Squalus acanthias | 2 | 0.7561 |
| Methionine aminopeptidase 1 | P53582 | MAP11_HUMAN | Homo sapiens | 2 | 0.7551 |
| Methionine aminopeptidase 1 | P53582 | MAP11_HUMAN | Homo sapiens | 2 | 0.7551 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7536 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7536 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7504 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7504 |
| Genome polyprotein | O92972 | POLG_HCVJ4 | Hepatitis C virus genotype 1b | 2 | 0.7472 |
| Genome polyprotein | O92972 | POLG_HCVJ4 | Hepatitis C virus genotype 1b | 2 | 0.7472 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7439 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7439 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7428 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7428 |
| 12-oxophytodienoate reductase 1 | Q9XG54 | OPR1_SOLLC | Solanum lycopersicum | 2 | 0.7419 |
| 12-oxophytodienoate reductase 1 | Q9XG54 | OPR1_SOLLC | Solanum lycopersicum | 2 | 0.7419 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7416 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7416 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7398 |
| Geranylgeranyl pyrophosphate synthase BTS1 | Q12051 | GGPPS_YEAST | Saccharomyces cerevisiae | 2 | 0.7398 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7398 |
| Geranylgeranyl pyrophosphate synthase BTS1 | Q12051 | GGPPS_YEAST | Saccharomyces cerevisiae | 2 | 0.7398 |
| Pentaerythritol tetranitrate reductase | P71278 | P71278_ENTCL | Enterobacter cloacae | 2 | 0.7355 |
| Pentaerythritol tetranitrate reductase | P71278 | P71278_ENTCL | Enterobacter cloacae | 2 | 0.7355 |
| Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial | Q0QF01 | SDHA_PIG | Sus scrofa | 2 | 0.7350 |
| Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial | Q0QF01 | SDHA_PIG | Sus scrofa | 2 | 0.7350 |
| Geranyl diphosphate synthase large subunit | Q9SBR3 | Q9SBR3_MENPI | Mentha piperita | 3 | 0.7332 |
| Geranyl diphosphate synthase large subunit | Q9SBR3 | Q9SBR3_MENPI | Mentha piperita | 3 | 0.7332 |
| Glutamate receptor ionotropic, kainate 1 | P22756 | GRIK1_RAT | Rattus norvegicus | 2 | 0.7329 |
| Glutamate receptor ionotropic, kainate 1 | P22756 | GRIK1_RAT | Rattus norvegicus | 2 | 0.7329 |
| Phospholipase A2 | P00593 | PA21B_BOVIN | Bos taurus | 2 | 0.7318 |
| Phospholipase A2 | P00593 | PA21B_BOVIN | Bos taurus | 2 | 0.7318 |
| Solanesyl diphosphate synthase 3, chloroplastic/mitochondrial | Q5HZ00 | SPS3_ARATH | Arabidopsis thaliana | 2 | 0.7285 |
| Solanesyl diphosphate synthase 3, chloroplastic/mitochondrial | Q5HZ00 | SPS3_ARATH | Arabidopsis thaliana | 2 | 0.7285 |
| Phosphotriesterase | Q5KZU5 | Q5KZU5_GEOKA | Geobacillus kaustophilus | 2 | 0.7251 |
| Phosphotriesterase | Q5KZU5 | Q5KZU5_GEOKA | Geobacillus kaustophilus | 2 | 0.7251 |
| Pyrrolysine--tRNA ligase | Q8PWY1 | PYLS_METMA | Methanosarcina mazei | 2 | 0.7242 |
| Pyrrolysine--tRNA ligase | Q8PWY1 | PYLS_METMA | Methanosarcina mazei | 2 | 0.7242 |
| Pentaerythritol tetranitrate reductase | P71278 | P71278_ENTCL | Enterobacter cloacae | 2 | 0.7227 |
| Pentaerythritol tetranitrate reductase | P71278 | P71278_ENTCL | Enterobacter cloacae | 2 | 0.7227 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7196 |
| Streptavidin | P22629 | SAV_STRAV | Streptomyces avidinii | 2 | 0.7196 |
| Isopenicillin N synthase | P05326 | IPNS_EMENI | Emericella nidulans | 2 | 0.7190 |
| Isopenicillin N synthase | P05326 | IPNS_EMENI | Emericella nidulans | 2 | 0.7190 |
| Isopenicillin N synthase | P05326 | IPNS_EMENI | Emericella nidulans | 2 | 0.7190 |
| Isopenicillin N synthase | P05326 | IPNS_EMENI | Emericella nidulans | 2 | 0.7190 |
| Type IV / VI secretion system DotU domain-containing protein | Q9KN50 | Q9KN50_VIBCH | Vibrio cholerae serotype O1 | 2 | 0.7185 |
| Type IV / VI secretion system DotU domain-containing protein | Q9KN50 | Q9KN50_VIBCH | Vibrio cholerae serotype O1 | 2 | 0.7185 |
| Abscisic acid receptor PYL9 | Q84MC7 | PYL9_ARATH | Arabidopsis thaliana | 2 | 0.7173 |
| Abscisic acid receptor PYL9 | Q84MC7 | PYL9_ARATH | Arabidopsis thaliana | 2 | 0.7173 |
| Isopenicillin N synthase | P05326 | IPNS_EMENI | Emericella nidulans | 2 | 0.7161 |
| Isopenicillin N synthase | P05326 | IPNS_EMENI | Emericella nidulans | 2 | 0.7161 |
| Isopenicillin N synthase | P05326 | IPNS_EMENI | Emericella nidulans | 2 | 0.7137 |
| Isopenicillin N synthase | P05326 | IPNS_EMENI | Emericella nidulans | 2 | 0.7137 |
| Avidin | P02701 | AVID_CHICK | Gallus gallus | 2 | 0.7135 |
| Avidin | P02701 | AVID_CHICK | Gallus gallus | 2 | 0.7135 |