Anacardic Acid
PubChem CID: 167551
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| Compound Synonyms | ANACARDIC ACID, 16611-84-0, 2-Hydroxy-6-pentadecylbenzoic acid, 6-Pentadecylsalicylic acid, Ginkgolic acid C15:0, Hydroginkgolic acid, cyclogallipharic acid, 2-Hydroxy-6-pentadecyl-benzoic acid, Benzoic acid, 2-hydroxy-6-pentadecyl-, 22:0-Anacardic acid, (15:0)-Anacardic acid, Anarcadic Acid, Anacardic acid A, CHEBI:2696, C22H36O3, 6-PDSA, 6-pentadecyl salicylic acid, 6-(Pentadecyl)Salicylic Acid, 6-(pentadecenyl)salicylic acid, 6-Pentadecatrienylsalicylic Acid, DTXSID00168078, 6-Pentadecyl-2-hydroxybenzoic acid, 2-Hydroxy-6-pentadecyl Benzoic Acid, MFCD07368254, NSC623096, NSC 333857, NSC-229596, NSC-333857, 11034-77-8, Anacardsaure, Anacardic Acid?, Benzoic acid,, Anacardic Acid (Standard), PA-9A, Pentadecylsalicylic acid, 6-, CHEMBL33778, SCHEMBL627981, Salicylic acid, 6-pentadecyl-, 8H693KBS2W, DTXCID3090569, HY-N2020R, DTXSID80872868, 2-Hydroxy-6-pentadecylbenzoicacid, HMS3426M05, 2-hydroxy-6-pendadecylbenzoic acid, BCP27645, EX-A3352, HY-N2020, RAA61184, EINECS 234-268-7, BDBM50240436, HB1380, LMPK15040002, NSC229596, NSC333857, s7582, AKOS024457416, Benzoic acid,2-hydroxy-6-pentadecyl-, CCG-208707, NSC-623096, 1-hydroxy-2-carboxy-3-pentadecylbenzene, Anacardic Acid - CAS 16611-84-0, NCGC00263625-09, AS-63256, DA-70833, (15:0)-Anacardic acid, analytical standard, 2-OXIDANYL-6-PENTADECYL-BENZOIC ACID, CS-0018377, NS- 623096, NS00094589, A925109, BRD-K66989831-001-01-3, 234-268-7, 683-602-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Catechols with side chains |
| Deep Smiles | CCCCCCCCCCCCCCCcccccc6C=O)O)))O |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | Synthesised by immature seeds of Ginkgo biloba (ginkgo) Chemically, anacardic acid is a mixture of several closely related organic compounds. Each consists of a salicylic acid substituted with an alkyl chain that has 15 or 17 carbon atoms, anacardic acid is a mixture of saturated and unsaturated molecules. The exact mixture depends on the species of the plant and the major component is C5:3 all-Z. 2-Hydroxy-6-pentadecylbenzoic acid is found in cashew nut and fats and oils. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 329.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08170, Q43191, Q9UBE0, P35354, Q92831, Q09472, Q9H7Z6, Q92993 |
| Iupac Name | 2-hydroxy-6-pentadecylbenzoic acid |
| Prediction Hob | 0.0 |
| Class | Benzene and substituted derivatives |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT2652, NPT1080, NPT1079, NPT2653, NPT4248 |
| Xlogp | 9.5 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Gsk 4 400 Rule | False |
| Molecular Formula | C22H36O3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ADFWQBGTDJIESE-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.6818181818181818 |
| Logs | -3.179 |
| Rotatable Bond Count | 15.0 |
| State | Solid |
| Logd | 4.297 |
| Synonyms | (15:0)-Anacardic acid, 2-Hydroxy-6-pentadecyl-benzoic acid, 22:0-Anacardic acid, 6-Pentadecylsalicylic acid, Anacardate, Anacardic acid, Benzoic acid, 2-hydroxy-6-pentadecyl-, Cyclogallipharic acid, Hydrogenated anacardic acid, Hydroginkgolic acid, 2-Hydroxy-6-pentadecylbenzoate, 6-(8(Z),11(Z),14-Pentadecatrienyl)salicylic acid, 6-(8,11,14-Pentadecatrienyl)salicylic acid, 6-Nonadecyl salicylic acid, 6-Pentadecyl salicylate, 6-Pentadecyl salicylic acid, 2-hydroxy-6-pentadecylbenzoic acid, 6-pentadecylsalicylic acid, anacardic acid, anacardic acid (diene), anacardic-acid, cyclogallipharic-acid, pentadecylsalicylic acid, 6-, salicylic acid, 6-pentadecyl, salicylic acid,6-pentadecyl |
| Substituent Name | Salicylic acid, Benzoic acid, Benzyl alcohol, Benzoyl, Phenol, Vinylogous acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | cC(=O)O, cO |
| Compound Name | Anacardic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 348.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -7.0285674 |
| Inchi | InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25) |
| Smiles | CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Salicylic acids |
| Np Classifier Superclass | Aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Aronia Arbutifolia (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Brucea Javanica (Plant) Rel Props:Reference:ISBN:9788185042145 - 4. Outgoing r'ship
FOUND_INto/from Buchanania Cochinchinensis (Plant) Rel Props:Reference:ISBN:9788171360536 - 5. Outgoing r'ship
FOUND_INto/from Clibadium Mexiae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Discaria Serratifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Iva Asperifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Justicia Hayatai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Pistacia Vera (Plant) Rel Props:Reference:ISBN:9788185042114 - 12. Outgoing r'ship
FOUND_INto/from Pteris Dactylina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Pyrostegia Venusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Quercus Infectoria (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 15. Outgoing r'ship
FOUND_INto/from Semecarpus Anacardium (Plant) Rel Props:Reference:ISBN:9788172360818 - 16. Outgoing r'ship
FOUND_INto/from Viscaria Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all