Oleic acid






Names

    • Priolene 6928
    • 18:1(n-9)
    • Rapinic acid
    • Fatty Acid 18:1 n-9
    • Q207688
    • OLEIC ACID (CONSTITUENT OF SPIRULINA)
    • FA 18:1
    • Hy-phi 2066
    • Oleic acid (natural)
    • 9,10-Octadecenoic acid
    • delta9-cis-Oleic acid
    • C00712
    • Emersol 6321
    • HSDB 1240
    • 2lkk
    • Oleic acid, analytical standard
    • Emersol 233
    • EN300-306800
    • D 100
    • Octadec-9-enoic acid
    • OLEIC ACID [VANDF]
    • Industrene 205
    • cis-.delta.(sup 9)-Octadecenoic acid
    • Acide oleique
    • OLEIC ACID [MART.]
    • Elaic acid
    • cis-delta(sup 9)-Octadecenoic acid
    • Groco 4
    • Oleine 7503
    • Hy-phi 2088
    • 2UMI9U37CP
    • Emersol 6313 NF
    • Caswell No. 619
    • Oleic acid, Selectophore(TM), >=99.0%
    • Groco 5l
    • Wochem no. 320
    • Acide oleique [French]', "l'Acide oleique [French]", 'Oleic acid; (Z)-Octadec-9-enoic acid
    • Oleic Acid-Water Soluble, powder, BioReagent, suitable for cell culture
    • cis-Oleate
    • cis-.delta.9-Octadecenoate
    • cis-9-Octadecenoic acid;Elainic acid
    • Lunac O-P
    • F0001-0262
    • Elainic acid
    • Edenor FTiO5
    • (9Z)-octadec-9-enoic acid
    • USEPA/OPP Pesticide Code: 031702
    • MFCD00064242
    • INDUSTRENE 106
    • OLEIC ACID (CONSTITUENT OF BORAGE SEED OIL)
    • Oleic acid, natural
    • SCHEMBL1138
    • 9-Octadecenoic acid(Z)-,oxidized,sulfonated,sodium salts
    • BDBM50150484
    • FEMA Number 2815
    • (9Z)-9-Octadecenoic acid
    • Oleic acid (NF)
    • ENDOCINE COMPONENT OLEIC ACID
    • Tox21_111086
    • oleate
    • Emersol 213NF
    • Oleic acid, p.a.
    • SR-01000780573-6
    • 9-octadecenoic acid, (9Z)-
    • AB00641912_08
    • Extra Olein 80
    • (Z)-Octadec-9-enoic acid
    • OLEIC ACID [FHFI]
    • Tox21_303324
    • Emersol 221 low titer white oleic acid
    • (9Z)- Octadecenoic acid
    • Oleinic acid
    • C18:1n-9
    • Priolene 6900
    • (Z)-9-Octadecanoate
    • Emersol 6333 NF
    • (9Z)-9-Octadecenoic acid #
    • 9-Octadecenoic-9,10-t2 acid, (9Z)- (9CI)
    • Oleic acid, meets analytical specification of Ph, Eur., 65.0-88.0% (GC)
    • Priolene 6906
    • Priolene 6907
    • MLS001056779
    • White oleic acid
    • 99148-48-8
    • OLEIC ACID (CONSTITUENT OF FLAX SEED OIL)
    • AI3-01291
    • OLEIC ACID (CONSTITUENT OF EVENING PRIMROSE OIL)
    • OLEIC ACID (C18:1) (CONSTITUENT OF KRILL OIL)
    • OLEICACID
    • Glycon RO
    • Delta9-cis-Octadecenoic acid
    • 18:1 n-9
    • Oleic acid, natural, tech grade
    • BP-24023
    • Oleic Acid, Pharmaceutical Secondary Standard; Certified Reference Material
    • Wecoline OO
    • Vopcolene 27
    • Oleic acid (8CI)
    • 9-cis-Octadecenoic acid
    • cis-Octadec-9-enoate
    • 9-(Z)-octadecenoate
    • 9,10-Octadecenoate
    • Oleic acid, technical grade, 90%
    • OLEIC ACID (CONSTITUENT OF SAW PALMETTO)
    • Oleic acid, sulfurized
    • (9Z)-9-Octadecenoate
    • FA(18:1(9Z))
    • Oleinate
    • oleic acid
    • cis-Oleic acid
    • NSC9856
    • Sulphurized oleic acid
    • LMFA01030002
    • CCRIS 682
    • 9-Octadecenoic acid, (Z)-
    • HMS3885H18
    • Hy-phi 1088
    • OLEIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]
    • Industrene 105
    • DTXSID1025809
    • Oleic acid, pure
    • Oleic acid, European Pharmacopoeia (EP) Reference Standard
    • Emersol 221 Low Titer White Oleate
    • Lunac O-LL
    • HY-N1446
    • NAA 34
    • NSC-9856
    • Emersol 7021
    • DELTA(9)-CIS-OLEIC ACID
    • (9Z)-Octadecenoic acid
    • Edenor ATiO5
    • Emersol 205
    • OLEIC ACID (CONSTITUENT OF SPIRULINA) [DSC]
    • 459CE4C0-C836-4249-8E2D-69874B714E9C
    • oleic acid extra pure
    • DTXCID705809
    • Oleic acid
    • oleaic acid
    • WLN: QV8U9-C
    • CAS-112-80-1
    • FEMA NUMBER 2815.
    • NS00010823
    • 9-Octadecenoic acid (Z)-', "L'Acide oleique", 'Emersol 210
    • Wecoline OO (VAN)
    • OLEIC ACID [FCC]
    • Oleic acid, natural, FCC
    • O0180
    • Oleic acid, SAJ first grade, >=70.0%
    • Elaidoic acid
    • z-octadeca-9-enoic acid
    • NCGC00091119-03
    • HMS3649H21
    • Z2412194967
    • Sulfurized oleic acid
    • AS-16066
    • cis 9 Octadecenoic Acid
    • (Z)-9-Octadecanoic acid
    • Oleic acid, >=93% (GC)
    • cis-Octadec-9-enoic acid
    • Z-9-Octadecenoic acid
    • Oleic acid-9,10-t
    • Tego-oleic 130
    • UNII-2UMI9U37CP
    • Oleic acid [NF]
    • HSCI1_000362
    • MLS002153498
    • K 52
    • CCG-267270
    • Oleic acid, from suet, natural, >=60% (GC)
    • Pamolyn 100
    • Oleic acid, certified reference material, TraceCERT(R)
    • Emersol 220 white oleic acid
    • Extra Oleic 80R
    • NCGC00257233-01
    • C18:1 n-9
    • 1ST1738
    • Hy-phi 1055
    • 18:1Delta9cis
    • Pamolyn 100 FGK
    • GTPL1054
    • cis-9-Octadecenoic-9,10-3H2 acid
    • Oleic acid Liquid
    • FEMA No. 2815
    • Extra Oleic 90
    • NCGC00091119-02
    • Industrene 104
    • Groco 2
    • 1g74
    • Emersol 220 White Oleate
    • CS-0016886
    • 1gni
    • Emersol 233LL
    • Priolene 6936
    • BRN 1726542
    • OLEIC ACID [USP-RS]
    • OLEIC ACID [MI]
    • Extra Oleic 99
    • Priolene 6930
    • AKOS017343225
    • Elaidoic acid , 9Z-Octadecenoic acid , Oleate , 9-Octadecenoic Acid , Glycon Wo , 9-cis-Octadecenoic acid
    • CHEMBL8659
    • Pamolyn 100 FG
    • Lunac OA
    • CIS-DELTA(SUP 9)-OCTADECANOIC ACID
    • Oelsaeure
    • NSC 9856
    • NCGC00091119-01
    • Pamolyn 125
    • 9-Octadecenoic acid, cis-
    • cis-9-Octadecenoic acid
    • CHEBI:16196
    • O0011
    • Tox21_201967
    • cis-delta9-octadecenoic acid
    • A894525
    • Osteum
    • Emersol 211
    • Oleic acid, >=99% (GC)
    • 9-Octadecenoic-9,10-t2 acid, (Z)-
    • 9-octadecenoic acid
    • EPA Pesticide Chemical Code 031702
    • 9-Octadecenoic acid (Z)-, sulfurized
    • cis-9-octadecenoate
    • Emersol 6313NF
    • Emersol 214NF
    • EINECS 270-164-8
    • OLEIC ACID (EP MONOGRAPH)
    • NCGC00259516-01
    • AT13415
    • CIS-8-HEPTADECYLENECARBOXYLIC ACID
    • SMR000326739
    • AC-33767
    • Distoline
    • D02315
    • 112-80-1
    • 9-Octadecenoic acid (9Z)-
    • cis-Delta(9)-octadecenoic acid
    • Oelsauere
    • Extra Olein 90R
    • Groco 6
    • C18:1
    • REGID_for_CID_445639
    • 4-02-00-01641 (Beilstein Handbook Reference)
    • 9,10-OCTADECANOIC ACID
    • SR-01000780573
    • Oleic acid, United States Pharmacopeia (USP) Reference Standard
    • 9 Octadecenoic Acid
    • Emersol 213
    • 1hms
    • 1vyf
    • Industrene 206
    • Extraolein 90
    • OLEIC ACID [EP MONOGRAPH]
    • CIS-9-OCTADECANOIC ACID
    • 9-Octadecenoic acid (9Z)- (9CI)
    • s4707
    • Hy-phi 2102
    • NAA 35
    • OLEIC ACID [II]
    • OLEIC ACID (II)
    • cis-.delta.9-Octadecenoic acid
    • Oleic acid, suitable for cell culture, BioReagent
    • Glycon wo
    • Pamolyn
    • Epitope ID:187036
    • Oleic acid, technical grade
    • Metaupon
    • .delta.9-cis-Oleic acid
    • Lunac O-CA
    • 9-(Z)-octadecenoic acid
    • HMS2234O13
    • OLEIC ACID [HSDB]
    • OLEIC ACID [WHO-DD]
    • EINECS 204-007-1
    • 9Z-Octadecenoic acid
    • 9-octadecylenic acid
    • OLEIC ACID (MART.)
    • Z-9-Octadecenoate
    • Priolene 6933
    • MLS002454427

Attributes

  • Canonical SMILES

    CCCCCCCC/C=C\CCCCCCCC(=O)O

  • InChI

    InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-

  • Molecule Class: Minor compounds
  • TPSA: 37.3
  • #RotBonds: 15
  • MW: 282.4679999999999
  • HBD: 1
  • HBA: 1
  • logP: 6.1085000000000065
  • Chemical Formula: C18H34O2


Species

    Species Place of Collection NCBI Taxonomy Voucher Specimen
    T. catharinensis Brazil 403124 UEC117862

External Databases


References

  • Chromatographic analysis and antioxidant capacity of Tabernaemontana catharinensis. Nat Prod Commun, 2014 (PMID 24660464).

Compound-Protein Relationships

Compound Activities

    • Antioxidant

Predicted NMR Spectral Data


Predicted MS Fragmentation Pattern

    N.B.: It is recommended to zoom in on a specific area of an MS plot before hovering on a peak.


Predicted ADMET Properties

    Category Property Name Predicted Value

    Absorption Caco-2 (logPaap) -4.8
    Human Oral Bioavailability 20% Non-Bioavailable
    Human Intestinal Absorption Absorbed
    Madin-Darby Canine Kidney -4.09
    Human Oral Bioavailability 50% Non-Bioavailable
    P-Glycoprotein Inhibitor Non-Inhibitor
    P-Glycoprotein Substrate Non-Substrate
    Skin Permeability -2.82

    Distribution Blood-Brain Barrier (Central Nervous System) -2.11
    Blood-Brain Barrier Penetrable
    Fraction Unbound (Human) 1.4
    Plasma Protein Binding 46.09
    Steady State Volume of Distribution 0.9

    Metabolism Breast Cancer Resistance Protein 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 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 -0.78
    Organic Cation Transporter 2 Non-Inhibitor
    Half-Life of Drug Half-Life >= 3hs

    Toxicity AMES Mutagenesis Safe
    Avian Safe
    Bee Safe
    Bioconcentration Factor 1.34
    Biodegradation Toxic
    Carcinogenesis Safe
    Crustacean Toxic
    Liver Injury I Safe
    Eye Corrosion Toxic
    Eye irritation Toxic
    Maximum Tolerated Dose 1.89
    Liver Injury II Safe
    hERG Blockers Safe
    Daphnia Maga 3.28
    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 4.82
    Rat (Acute) 1.4
    Rat (Chronic Oral) 2.34
    Fathead Minnow 3.92
    Respiratory Disease Toxic
    Skin Sensitisation Toxic
    SR-ATAD5 Safe
    SR-ARE Safe
    SR-HSE Safe
    SR-MMP Safe
    SR-p53 Safe

    General Properties Boiling Point 360.01
    Hydration Free Energy -4.65
    Log(D) at pH=7.4 3.44
    Log(P) 7.41
    Log S -4.54
    Log(Vapor Pressure) -6.15
    Melting Point 50.25
    pKa Acid 4.93
    pKa Basic 8.74