2-Hydroxy-6-(pentadec-8-en-1-yl)benzoic acid
PubChem CID: 5317600
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (8E)-Anacardic Acid, Anacardic acid C15:1, CHEMBL277156, 2-hydroxy-6-[(E)-pentadec-8-enyl]benzoic acid, 2-hydroxy-6-(pentadec-8-en-1-yl)benzoic acid, NSC638511, 444573-46-0, 2-Hydroxy-6-(8-pentadecenyl)benzoic acid, (Z)-2-Hydroxy-6-(pentadec-8-en-1-yl)benzoic acid, 2-hydroxy-6-[(8E)-pentadec-8-en-1-yl]benzoic acid, 2-hydroxy-6-[(8Z)-pentadec-8-en-1-yl]benzoic acid, SCHEMBL8042802, 6-(8-Pentadecenyl)salicylic acid, 6-(8'E-pentadecaenyl)salicylic acid, BDBM50241272, 6-(8''E-pentadecaenyl)salicylic acid, AKOS015888427, NSC-638511, 2-Hydroxy-6-(8-pentadecenyl)-(Z)-Benzoic acid, 2-Hydroxy-6-(8-pentadecenyl)benzoic acid, 9CI, (E)-2-Hydroxy-6-(pentadec-8-en-1-yl)benzoic acid, (E)-2-Hydroxy-6-(pentadec-8-en-1-yl)benzoicacid |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Description | Constituent of Ginkgo biloba (ginkgo) and minor constituent of cashew nut shell. Ginkgoic acid is found in many foods, some of which are ginkgo nuts, nuts, cashew nut, and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22513 |
| Iupac Name | 2-hydroxy-6-[(E)-pentadec-8-enyl]benzoic acid |
| Prediction Hob | 0.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 8.5 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Molecular Formula | C22H34O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YXHVCZZLWZYHSA-BQYQJAHWSA-N |
| Fcsp3 | 0.5909090909090909 |
| Logs | -3.036 |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Logd | 4.695 |
| Synonyms | (8e)-Anacardate, (z)-2-hydroxy-6-(8-pentadecenyl)benzoic Acid, 2-Hydroxy-6-(8-pentadecenyl)-(Z)-benzoic acid, 2-Hydroxy-6-(8-pentadecenyl)benzoic acid, 9CI, 6-(8-Pentadecenyl)salicylic acid, 6-(8'E-pentadecaenyl)salicylate, Benzoic acid, 2-hydroxy-6-(8-pentadecenyl)-, (Z)-, Ginkgoic acid, Ginkgolic acid, Romanicardic acid, Ginkgoate, 6-(8'e-Pentadecaenyl)salicylic acid, (8E)-Anacardic acid, 6-(8'e-Pentadecaenyl)salicylate, (8E)-Anacardate, (Z)-2-Hydroxy-6-(8-pentadecenyl)benzoic acid, 2-Hydroxy-6-(8-pentadecenyl)benzoic acid, 9ci, 2-Hydroxy-6-[(8E)-pentadec-8-en-1-yl]benzoate |
| Compound Name | 2-Hydroxy-6-(pentadec-8-en-1-yl)benzoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 346.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -6.6284682 |
| Inchi | InChI=1S/C22H34O3/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/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7+ |
| Smiles | CCCCCC/C=C/CCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Salicylic acids |
- 1. Outgoing r'ship
FOUND_INto/from Anacardium Occidentale (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Cephalotaxus Harringtonia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all