2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid
PubChem CID: 5388781
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| Compound Synonyms | Anacardic acid C15:3, 18654-18-7, 2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid, 2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trienyl]benzoic acid, CHEMBL464925, (8E,11E,14E)-Anacardic acid, 8,11,14-Anacardic acid, NSC638512, 6-(8(Z),11(Z),14-Pentadecatrienyl)salicylic acid, 2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]benzoic acid, F5X3PZ4LDA, Salicylic acid, 6-(8,11,14-pentadecatrienyl)-, 103904-73-0, Benzoic acid, 2-hydroxy-6-(8,11,14-pentadecatrienyl)-, NSC-638512, UNII-F5X3PZ4LDA, SCHEMBL154720, GTPL6999, SCHEMBL21705058, CHEBI:174627, BDBM512935, BDBM50248616, 2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid, 9CI, 2-Hydroxy-6-(pentadeca-8,11,14-trien-1-yl)benzoic acid |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22513 |
| Iupac Name | 2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trienyl]benzoic acid |
| Prediction Hob | 0.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 7.6 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Molecular Formula | C22H30O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QUVGEKPNSCFQIR-AOSYACOCSA-N |
| Fcsp3 | 0.4090909090909091 |
| Logs | -3.141 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.576 |
| Synonyms | 2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoate, (8E11E, 14E)-Anacardic acid, 2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid, 9ci, 2-Hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trien-1-yl]benzoate, 6-Nonadecyl salicylic acid, 6-Pentadecylsalicylic acid, Anacardic acid, 6-(8(Z),11(Z),14-Pentadecatrienyl)salicylic acid, 6-(8,11,14-Pentadecatrienyl)salicylic acid, 6-Pentadecyl salicylic acid |
| Compound Name | 2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 342.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -6.0709697999999985 |
| Inchi | InChI=1S/C22H30O3/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/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4+,8-7+ |
| Smiles | C=CC/C=C/C/C=C/CCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Salicylic acids |
- 1. Outgoing r'ship
FOUND_INto/from Aronia Arbutifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Clibadium Mexiae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Discaria Serratifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Justicia Hayatai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Pteris Dactylina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pyrostegia Venusta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Viscaria Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all