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COCONUT Compound

4-HYDROXYBENZOIC ACID

CNP0253685.0 · C7H6O3 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name4-HYDROXYBENZOIC ACID
IUPAC Name4-hydroxybenzoic acid
COCONUT IDCNP0253685.0
CAS99-96-7, 30729-36-3
InChIKeyFJKROLUGYXJWQN-UHFFFAOYSA-N
InChIInChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
SMILESO=C(O)C1=CC=C(O)C=C1

Properties

Molecular FormulaC7H6O3
Molecular Weight138.12
Exact Mass138.03169
Log P (ALogP)1.09
TPSA57.53
H-Bond Donors / Acceptors2 / 2
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.61
NP-likeness0.38

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassPhenolic acids (C6-C1)
NP ClassSimple phenolic acids
Chemical SuperclassBenzenoids
Chemical ClassBenzene and substituted derivatives
Chemical SubclassBenzoic acids and derivatives

Reported in GR-MAPs Plants

Andrographis paniculata as “Andrographis paniculata” in COCONUT
Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Bacopa monnieri as “Bacopa monnieri” in COCONUT
Lagerstroemia speciosa as “Lagerstroemia speciosa” in COCONUT
Papaver somniferum as “Papaver somniferum” in COCONUT
Ocimum basilicum as “Ocimum basilicum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla; Matricaria recutita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Vitex negundo as “Vitex negundo; Vitex negundo var. cannabifolia” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT
Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Cestrum nocturnum as “Cestrum nocturnum” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (538)

  1. 10.1002/(SICI)1099-1565(199603)7:2<97::AID-PCA286>3.0.CO;2-M
  2. 10.1002/(SICI)1099-1565(199909/10)10:5<268::AID-PCA467>3.0.CO;2-Z
  3. 10.1002/1099-1565(200009/10)11:5<327::AID-PCA523>3.0.CO;2-0
  4. 10.1002/1099-1565(200011/12)11:6<375::AID-PCA539>3.0.CO;2-0
  5. 10.1002/BMC.1207
  6. 10.1002/CBDV.200800179
  7. 10.1002/CBDV.200800270
  8. 10.1002/CBDV.200800273
  9. 10.1002/CBDV.201000166
  10. 10.1002/CBDV.201000324
  11. 10.1002/CBDV.201100219
  12. 10.1002/CBER.19610941204
  13. 10.1002/CHIN.200313168
  14. 10.1002/CHIN.200337190
  15. 10.1002/CHIN.200349210
  16. 10.1002/CHIN.200434239
  17. 10.1002/CHIN.200503195
  18. 10.1002/CHIN.200505221
  19. 10.1002/CHIN.200533256
  20. 10.1002/CHIN.200537185
  21. 10.1002/HLCA.194502801103
  22. 10.1002/HLCA.19890720406
  23. 10.1002/HLCA.200390159
  24. 10.1002/HLCA.200800391
  25. 10.1002/HLCA.200800420
  26. 10.1002/HLCA.201000164
  27. 10.1002/HLCA.201000195
  28. 10.1002/HLCA.201000385
  29. 10.1002/JCCS.198500075
  30. 10.1002/JCCS.199400032
  31. 10.1002/JCCS.199500128
  32. 10.1002/JCCS.199900010
  33. 10.1002/JCCS.200000050
  34. 10.1002/JCCS.200100177
  35. 10.1002/JCCS.200200019
  36. 10.1002/JCCS.200200066
  37. 10.1002/JCCS.200300178
  38. 10.1002/JCCS.200400159
  39. 10.1002/JCCS.200400211
  40. 10.1002/JCCS.200700013

Showing 40 of 538. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.