Ginkgolic acid II
PubChem CID: 5469634
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| Compound Synonyms | Ginkgolic acid C17:1, 111047-30-4, Ginkgolic acid II, Ginkgolic acid 17:1, 2-[(Z)-heptadec-10-enyl]-6-hydroxybenzoic acid, 2-(10-Heptadecenyl)-6-hydroxybenzoic acid, CHEMBL470768, DTXSID101316401, 6-[(10Z)-Heptadecenyl]salicylic acid, Ginkgolic Acid C17-1, (Z)-2-(Heptadec-10-en-1-yl)-6-hydroxybenzoic acid, Ginkgolic Acid (C17:1), NSC691034, SCHEMBL5380767, Benzoic acid, 2-(10-heptadecenyl)-6-hydroxy-, (Z)-, HY-N2116R, CHEBI:228873, MBYNDKVOZOAOIS-FPLPWBNLSA-N, DTXCID201746253, GLXC-13680, Ginkgolic acid C17:1 (Standard), 6-(10-Heptadecenyl)salicylic acid, HY-N2116, BDBM50259930, MFCD09752804, AKOS024463395, 6-(10''Z-heptadecenyl)-salicylicacid, FG42763, NSC-691034, 6-[10''(Z)-heptade-cenyljsalicylic acid, Ginkgolic acid C17:1, analytical standard, (E)-Heptadec-15-en-8-yl 2-hydroxybenzoate, CS-0018637, NS00094543, [(E)-heptadec-15-en-8-yl] 2-hydroxybenzoate, 6-[(z)-10-heptadecenyl]-2-hydroxybenzoic acid, 2-(10-Heptadecenyl)-6-hydroxybenzoic acid, 9CI, A894811, Benzoic acid, 2-(10Z)-heptadecen-1-yl, 6-hydroxy-, 2-[(10Z)-heptadec-10-en-1-yl]-6-hydroxybenzoic acid, Ginkgolic acid C17:1, primary pharmaceutical reference standard, 635-154-3 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Description | Isolated from Ginkgo biloba (ginkgo). 2-(10-Heptadecenyl)-6-hydroxybenzoic acid is found in fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08487, P13726, P00761, O42275 |
| Iupac Name | 2-[(Z)-heptadec-10-enyl]-6-hydroxybenzoic acid |
| Prediction Hob | 0.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 9.6 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Molecular Formula | C24H38O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MBYNDKVOZOAOIS-FPLPWBNLSA-N |
| Fcsp3 | 0.625 |
| Logs | -2.56 |
| Rotatable Bond Count | 16.0 |
| State | Solid |
| Logd | 4.586 |
| Synonyms | (E)-Heptadec-15-en-8-yl 2-hydroxybenzoate, [(E)-heptadec-15-en-8-yl] 2-hydroxybenzoate, 2-(10-Heptadecenyl)-6-hydroxybenzoic acid, 9CI, 6-(10-Heptadecenyl)salicylic acid, 2-(10-Heptadecenyl)-6-hydroxybenzoate, (e)-Heptadec-15-en-8-yl 2-hydroxybenzoate, 2-(10-Heptadecenyl)-6-hydroxybenzoic acid, 9ci, [(e)-Heptadec-15-en-8-yl] 2-hydroxybenzoate, 2-[(10Z)-Heptadec-10-en-1-yl]-6-hydroxybenzoate |
| Compound Name | Ginkgolic acid II |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 374.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 374.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 374.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -7.337647444444444 |
| Inchi | InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7- |
| Smiles | CCCCCC/C=C\CCCCCCCCCC1=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 Epimedium Brevicornu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 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 Gnaphalium Polycaulon (Plant) Rel Props:Source_db:npass_chem_all