This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Ginkgolic acid

PubChem CID: 5281858

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Ginkgolic acid, 22910-60-7, Ginkgoic acid, Ginkgolic acid C15:1, Ginkgolic acid I, Romanicardic acid, Gingkolic Acid, Anacardic acid monoene, Ginkgolic acid 15:1, 2-hydroxy-6-[(Z)-pentadec-8-enyl]benzoic acid, 6-[(8Z)-Pentadecenyl]-salicylic acid, (Z)-2-Hydroxy-6-(8-pentadecenyl)benzoic acid, CHEBI:5354, CHEMBL445177, (Z)-2-Hydroxy-6-(pentadec-8-en-1-yl)benzoic acid, Benzoic acid, 2-hydroxy-6-(8Z)-8-pentadecenyl-, Benzoic acid, 2-hydroxy-6-(8-pentadecenyl)-, (Z)-, 2-hydroxy-6-(pentadec-8-en-1-yl)benzoic acid, Ginkgolic acid (C15:1), Spectrum5_000899, 2-hydroxy-6-((8E)-pentadec-8-en-1-yl)benzoic acid, 2-hydroxy-6-[(8E)-pentadec-8-en-1-yl]benzoic acid, Ginkgolic Acid (Standard), Anacardic Acid 8'Z-Monoene, BSPBio_002625, Anacardic acid 8''Z-monoene, SCHEMBL163525, SPECTRUM1505247, HY-N0077R, DTXSID50872875, YXHVCZZLWZYHSA-FPLPWBNLSA-N, 6-(8Z)-Pentadecenylsalicylic acid, HY-N0077, BDBM50242188, CCG-38715, LMPK15040003, MFCD03093717, s9432, 6-(8''Z-pentadecenyl)-salicylicacid, 6-{8(Z)-pentadecenyl}salicylic acid, AKOS015920035, CS-3728, FG42762, SDCCGMLS-0066799.P001, 6[8'(Z )-Pentadecenyl]Salicylic Acid, 6-[8''(Z)-pentadecenyl]salicylic acid, 6-[8(Z)-pentadecatrienyl]salicylic acid, 6[8''(Z )-pentadecenyl]salicylic acid, NCGC00095338-01, NCGC00095338-02, NCGC00095338-03, AC-12804, AS-79331, DA-63759, Ginkgolic acid C15:1, analytical standard, 6-((Z)-heptadec-8-en-1-yl)salicylic acid, NS00094737, A878392, Ginkgolic Acid (15:1) - CAS 22910-60-7, Ginkgolic acid C15:1, primary reference standard, SR-05000002608, (Z)-2-(heptadec-8-en-1-yl)-6-hydroxybenzoic acid, Q1525050, SR-05000002608-1, BRD-K81965037-001-03-2
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 CCCCCC/C=CCCCCCCCcccccc6C=O)O)))O
Heavy Atom Count 25.0
Classyfire Class Benzene and substituted derivatives
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Benzoic acids and derivatives
Isotope Atom Count 0.0
Molecular Complexity 364.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P08170, P08487, P13726, P00761, O42713, Q99714, B2RXH2, P25779, P10636, P16050, O97447, Q92830, O15296, P11473, Q9UBT6, O94782, Q9UBE0, Q9NUW8, Q9Y6L6, Q9NPD5, P08253, Q86VZ5, Q8NHU3
Iupac Name 2-hydroxy-6-[(Z)-pentadec-8-enyl]benzoic acid
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Benzenoids
Target Id NPT149, NPT48, NPT51, NPT792, NPT2652, NPT568
Xlogp 8.5
Gsk 4 400 Rule False
Molecular Formula C22H34O3
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key YXHVCZZLWZYHSA-FPLPWBNLSA-N
Silicos It Class Poorly soluble
Fcsp3 0.5909090909090909
Logs -2.763
Rotatable Bond Count 14.0
Logd 4.472
Synonyms ginkgolic acid
Esol Class Poorly soluble
Functional Groups C/C=CC, cC(=O)O, cO
Compound Name Ginkgolic acid
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
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Lipinski Rule Of 5 True
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
Np Classifier Biosynthetic Pathway Polyketides
Defined Bond Stereocenter Count 1.0
Egan Rule False
Np Classifier Superclass Aromatic polyketides