Undecylenic Acid
PubChem CID: 5634
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| Compound Synonyms | undecylenic acid, 10-UNDECENOIC ACID, Undec-10-enoic acid, 112-38-9, Undecenoic acid, Desenex, 10-Hendecenoic acid, Renselin, Sevinon, Declid, 10-Undecylenic acid, 9-Undecylenic acid, Undecyl-10-enic acid, FEMA No. 3247, undecylenate, Kyselina undecylenova, Caswell No. 901, UNDECEN-10-ACID-1, Undecenoic acid, omega-, Undecylenic acid [JAN], Hendecenoic acid, omega-, omega-undecenoic acid, NSC 2013, omega-hendecenoic acid, 10-Henedecenoic acid, CHEBI:35045, undecelinic acid, 10-Hendecenoic, 10-Undecensaeure, NSC-2013, EINECS 203-965-8, n-Undecylenic acid, UNII-K3D86KJ24N, MFCD00004442, Undecen-10-saeure, Cruex, EPA Pesticide Chemical Code 085501, BRN 1762631, K3D86KJ24N, Cruex (TN), Kyselina 9-decen-1-karboxylova, acide 10-undecylique, acido 10-undecenoico, 1333-28-4, DTXSID8035001, acide 10-undecanoique, AI3-02065, NSC2013, Undecylenic acid (JAN/USP), Undecylenic acid [USP:JAN], DTXCID6015001, EC 203-965-8, 4-02-00-01612 (Beilstein Handbook Reference), Undesine, C11:1n-1, NCGC00159425-02, NCGC00159425-04, Undecylenic acid (USP:JAN), UNDECYLENIC ACID (II), UNDECYLENIC ACID [II], UNDECENOIC ACID (MART.), UNDECENOIC ACID [MART.], Undecenoicacid, UNDECYLENIC ACID (USP-RS), UNDECYLENIC ACID [USP-RS], UNDECYLENIC ACID (EP MONOGRAPH), UNDECYLENIC ACID [EP MONOGRAPH], Undecylenic acid, Undec-10-enoic acid, UNDECYLENIC ACID (USP MONOGRAPH), UNDECYLENIC ACID [USP MONOGRAPH], 96451-28-4, CAS-112-38-9, Kyselina undecylenova [Czech], 10-Undecenoic acid, 98%, Kyselina 9-decen-1-karboxylova [Czech], Desinex, Micocilen, Tobcharm, HongocuraM, HongocuraS, Antifungal Pen, undecylenic-acid, Remedy Nails, Anti-Fungal Pen, Rite Aid Fungal, Undecylenenic acid, MicocilenAntifungal, Topcare Antifungal, Antifungal Solution, Diabetic Antifungal, Anti-Fungal Liquid, Fungicure LiquidGel, 10-Undecenic acid, Antifungal Nail Pen, EINECS 215-583-9, EmoniNail Antifungal, Hongocura Pinceladas, n-UNDECYLENIC ACID (10-1), Zinc Undecylenate (undecylenic acid), Anti-Fungal PenCVS, 10-undeceneoic acid, Flexitol Anti Fungal, TERPENICOL, Zeta Clear Antifungal, NU CALMAR, HC Max Hongo CuraMS, Undecylenic Acid Liquid, Undecylenic acid, USAN, FungicureMaximum Strength, Premier Value Antifungal, FUNGWAY Fungus Clearing, Anti-Fungal Nail Solution, Good Neighbor Anti-Fungal, Tineacide Physician Formula, Fiore Rx Antifungal ProPen, Sally HansenNo More Fungus, Hongo KillerNail and Fungus, NCIOpen2_002642, UNDECYLENATE [VANDF], WLN: QV9U1, Direct Naturals Fungus Clear, SCHEMBL17827, UNDECYLENIC ACID [MI], Pinceladas Para Hongos Navarro, Maximum Strength Antifungal Pen, 10-Undecenoic acid (Standard), Diabetic Antifungal Professional, CHEMBL1276010, Myco Nail A Antifungal Solution, UNDECYLENIC ACID [VANDF], FEMA 3247, HY-B0914R, Undecylenic acid, >=95%, FG, Undecylenic acid, >=96%, FG, TopCare AntifungalMaximum Strength, UNDECYLENIC ACID [WHO-DD], HMS2093L21, Pharmakon1600-01505468, Fungicure Anti-Fungal Liquid 25%, Human Science Antifungal Foot Care, 10-UNDECENOIC ACID [FHFI], HY-B0914, PURESKIN FUNGAL NAIL RENEWAL, Tox21_111657, Tox21_300383, BBL027462, BDBM50248304, Fungi Nail Toe and Foot Anti-Fungal, LMFA01030036, NSC759153, Pinceladas Goyescas OriginalFungicide, s9452, STK801548, Dermaced Maximum Strength Anti-Fungal, FUNGINIX ANTI-FUNGAL TREATMENT, maximum strengthantifungal nail liquid, AKOS009031595, Tox21_111657_1, CCG-213461, DB11117, ELON Dual Defense Anti Fungal Formula, FU12136, NSC-759153, PB48616, 10-Undecenoic acid, analytical standard, Premier Value AntifungalMaximum Strength, Botanimedix OnychoRX Antifungal Nail Gel, ETERNAL SPIRIT BEAUTY FUNGI FRESH, NCGC00159425-03, NCGC00159425-05, NCGC00159425-09, NCGC00254296-01, Undecylenic acid, natural, >=97%, FG, DA-49061, FLUSH Maximum Strength Antifungal formula, NCI60_001670, SBI-0206806.P001, SBI-0206806.P002, CVS Maximum Strength Anti-Fungal Pen 25%, Maximum Strength Antifungal Liquid Solution, Nutra Nail FUNGI FREE Antifungal Treatment, CVS PharmacyAnti-fungal Pen Maximum Strength, NS00009009, U0007, EN300-20666, Fiore Rx Coral Sorbet Antifungal Nail Polish, Pinceladas Goyescas OriginalBrush on Fungicide, 10-Undecenoic acid, purum, >=97.0% (GC), D02159, P19683, SBI-0206806.0001, AB00630892_02, CVS MAXIMUM STRENGTH ANTI FUNGAL PEN 25, Fiore Rx CranApple Crush Antifungal Nail Polish, Fiore Rx Pixie Dust Pink Antifungal Nail Polish, Fiore Rx Antifungal Nail Lacquer Red Velvet Cake, Fiore Rx Rock Candy Clear Antifungal Nail Lacquer, Q420346, SR-05000002050, 10-Undecenoic acid, Vetec(TM) reagent grade, 98%, Fiore Rx Almond Milk Matte Antifungal Nail Lacquer, Fiore Rx Eggplant My Garden Antifungal Nail Polish, Fiore Rx Pink Peppermint Pie Antifungal Nail Polish, RIte AidMaximum Strength Foot Care Anti-fungal Pen, SR-05000002050-1, BRD-K19189338-001-03-2, BRD-K19189338-001-05-7, F0001-0258, Z104479700, CVS PharmacyMaximum Strength Antifungal Liquid with Aloe and Vitamin E, Undecylenic acid, United States Pharmacopeia (USP) Reference Standard, 10-Undecenoic acid, puriss., meets analytical specification of Ph. Eur., BP, USP, 98-100.5%, 203-965-8, InChI=1/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | C=CCCCCCCCCC=O)O |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Fatty acyls |
| Description | Flavouring ingredient. Undecylenic acid is found in black elderberry. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 141.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, P10636, O95342, Q92887, O15438, O15439, Q03181 |
| Iupac Name | undec-10-enoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Target Id | NPT483, NPT51, NPT1028 |
| Xlogp | 3.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FRPZMMHWLSIFAZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7272727272727273 |
| Logs | -3.135 |
| Rotatable Bond Count | 9.0 |
| State | Liquid |
| Logd | 2.222 |
| Synonyms | 10-Hendecenoate, 10-Hendecenoic, 10-Hendecenoic acid, 10-Henedecenoic acid, 10-Undecenoate, 10-Undecenoic acid, 10-Undecensaeure, 10-Undecylenate, 10-Undecylenic acid, 9-Undecenoic acid, 9-Undecylenic acid, Acide 10-undecanoique, Acide 10-undecylique, Acido 10-undecenoico, Cruex, Cruex (TN), Declid, Desenex, FEMA 3247, Hendecenoic acid, omega-, N-undecylenic acid, n-UNDECYLENIC ACID (10-1), Omega-hendecenoate, Omega-hendecenoic acid, Omega-undecenoate, Omega-undecenoic acid, Renselin, Sevinon, Undec-10-enoic acid, Undecelinate, Undecelinic acid, UNDECEN-10-ACID-1, Undecen-10-saeure, Undecenoate, Undecenoic acid, Undecenoic acid, omega-, Undecyl-10-enic acid, Undecylenenic acid, Undecylenic acid, Undecylenic acid (jan/usp), Undecylenic acid [jan], Undecylenic acid, USAN, Undecylenic acids, Zinc undecylenate (undecylenic acid), Undecen-10-acid-1, Undecylenate, Mycodermine, N-Undecylenic acid, N-UNDECYLENIC ACID (10-1), Undecylenic acid, usan, ω-Hendecenoic acid, ω-Undecenoic acid, 10-undecenoic acid |
| Substituent Name | Medium-chain fatty acid, Unsaturated fatty acid, Straight chain fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC(=O)O |
| Compound Name | Undecylenic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 184.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -2.8203297999999997 |
| Inchi | InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13) |
| Smiles | C=CCCCCCCCCC(=O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hypericum Sampsonii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Machilus Gamblei (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9699455 - 4. Outgoing r'ship
FOUND_INto/from Morinda Lucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Sambucus Nigra (Plant) Rel Props:Source_db:fooddb_chem_all