Ginkgoneolic acid
PubChem CID: 161306
Connections displayed (default: 10).
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| Compound Synonyms | 20261-38-5, Ginkgoneolic acid, 2-Hydroxy-6-tridecylbenzoic acid, Ginkgolic acid C13:0, Ginkgolic acid (C13:0), 6-Tridecylsalicylic acid, 6-n-Tridecylsalicylic acid, Benzoic acid, 2-hydroxy-6-tridecyl-, 6-tridecyl phenol, CHEMBL476921, C20H32O3, Ginkgolic acid (13:0), Ginkgoneolic Acid, 6-Tridecylsalicylic acid, Ginkgolic acid (13:0), Salicylic acid, 6-tridecyl-, BRN 2660108, Benzoic acid, 2-hydroxy-6-tridecyl-, Salicylic acid, 6-tridecyl- (8CI), 2-Hydroxy-6-tridecylbenzoic acid, 6-Tridecylsalicylic acid, 6-n-Tridecylsalicylic acid, Ginkgoneolic acid, 6-Tridecyl-Salicylic acid, Ginkgolic Acid (C130), SCHEMBL20298323, HY-N0078R, DTXSID10174105, CHEBI:175101, 2-Hydroxy-6-tridecyl-Benzoic acid, HY-N0078, BDBM50259931, MFCD01661602, s9445, Salicylic acid, 6-tridecyl- (8CI), AKOS015888424, Ginkgolic Acid (C13:0) (Standard), CCG-267712, CS-3726, FG42761, 2-TRIDECYL-6-HYDROXYBENZOIC ACID, AS-62129, DA-63758, Ginkgolic acid C13:0, analytical standard, NS00067884, Q63395389 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | Isolated from pistachio shells. Isolated from Ginkgo biloba (ginkgo). 2-Hydroxy-6-tridecylbenzoic acid is found in fats and oils and nuts. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08487, P43680, P55957, Q16611 |
| Iupac Name | 2-hydroxy-6-tridecylbenzoic acid |
| Prediction Hob | 0.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 8.4 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Molecular Formula | C20H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VEPUCZUJLKAVNM-UHFFFAOYSA-N |
| Fcsp3 | 0.65 |
| Logs | -3.286 |
| Rotatable Bond Count | 13.0 |
| State | Solid |
| Logd | 4.123 |
| Synonyms | 2-Hydroxy-6-tridecyl-benzoic acid, 6-n-Tridecylsalicylic acid, 6-Tridecyl-salicylic acid, 6-Tridecylsalicylic acid, Benzoic acid, 2-hydroxy-6-tridecyl-, Salicylic acid, 6-tridecyl-, Salicylic acid, 6-tridecyl- (8CI), 2-Hydroxy-6-tridecylbenzoate, 6-Tridecyl phenol, 6-N-Tridecylsalicylic acid, Salicylic acid, 6-tridecyl- (8ci), 6-N-TDSCA |
| Compound Name | Ginkgoneolic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 320.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -6.315376078260869 |
| Inchi | InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23) |
| Smiles | CCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Salicylic acids |
- 1. Outgoing r'ship
FOUND_INto/from Eriolaena Hookeriana (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ginkgo Semen (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ipomoea Biloba (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Iris Hookeriana (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Knema Attenuata (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Knema Cinerea (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Knema Erratica (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Knema Globularia (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Magnolia Biloba (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Sarcococca Hookeriana (Plant) Rel Props:Reference: