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.

3-Hydroxycoumarin

PubChem CID: 13650

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

ℹ️ Click here to know more about the properties
Compound Synonyms 3-Hydroxycoumarin, 939-19-5, 3-hydroxy-2H-chromen-2-one, 3-hydroxychromen-2-one, 3-Hydroxy-2-benzopyrone, 3 Hydroxycoumarin, 2H-1-Benzopyran-2-one, 3-hydroxy-, hydroxycoumarin, 3-Hydroxy-2H-1-benzopyran-2-one, COUMARIN, 3-HYDROXY-, RQX0CMD9PN, 3-Hydroxy-chromen-2-one, EINECS 213-355-3, NSC 74691, BRN 0128032, 3-COUMARINOL, NSC-74691, CHEMBL150372, DTXSID50239863, 5-18-01-00376 (Beilstein Handbook Reference), UNII-RQX0CMD9PN, 43070-85-5, 3-hydroxy-coumarin, 3-hydroxychromenone, NSC74691, 2H-1-Benzopyran-2-one,3-hydroxy-, MFCD00017490, Spectrum_000476, SpecPlus_000860, Spectrum2_000805, Spectrum3_001267, Spectrum4_001576, Spectrum5_000232, hydroxy-2H-chromen-2-one, SCHEMBL76090, BSPBio_002834, KBioGR_002132, KBioSS_000956, SPECTRUM211538, DivK1c_006956, SPBio_000669, KBio1_001900, KBio2_000956, KBio2_003524, KBio2_006092, KBio3_002334, DTXCID00162354, CHEBI:113542, o-Hydroxyphenylpyruvic acid lactone, BDBM50206007, CCG-39664, AKOS015916452, FH67288, SDCCGMLS-0066523.P001, NCGC00095536-01, NCGC00095536-02, NCGC00178445-01, MS-22894, PD002122, DB-057448, DB-294344, HY-127170, 2H-1-Benzopyran-2-one, 3-hydroxy-(9CI), CS-0094421, H1585, NS00039762, T73087, AN-829/40355682, BRD-K92019075-001-02-0, Q27194434
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 46.5
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2CCCCC2C1
Np Classifier Class Simple coumarins
Deep Smiles O=cocccccc6cc%10O
Heavy Atom Count 12.0
Classyfire Class Coumarins and derivatives
Description 3 hydroxycoumarin is a metabolite of coumarin. In particular, coumarin is metabolized by CYP3A4 to form 3-hydroxycoumarin (PMID 17286538). [HMDB]
Scaffold Graph Node Level OC1CCC2CCCCC2O1
Classyfire Subclass Hydroxycoumarins
Isotope Atom Count 0.0
Molecular Complexity 232.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P22309, P47199, P47989, Q16790, P00918, P00915, O43570, P15121, Q00796, P15428, P14920, Q9GZT4, Q99489, Q9Y6L6, Q9NPD5, n.a., Q16236, P0DTD1, P14679
Iupac Name 3-hydroxychromen-2-one
Prediction Hob 1.0
Class Coumarins and derivatives
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT967, NPT41, NPT1551, NPT151, NPT645, NPT647, NPT741
Xlogp 1.8
Superclass Phenylpropanoids and polyketides
Subclass Hydroxycoumarins
Gsk 4 400 Rule True
Molecular Formula C9H6O3
Scaffold Graph Node Bond Level O=c1ccc2ccccc2o1
Prediction Swissadme 0.0
Inchi Key MJKVTPMWOKAVMS-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.0
Logs -2.066
Rotatable Bond Count 0.0
State Solid
Logd 1.505
Synonyms 3-Hydroxy-2-benzopyrone, 3-Hydroxy-2H-1-benzopyran-2-one, 3-hydroxy-coumarin, 3-Hydroxycoumarin, o-Hydroxyphenylpyruvic acid lactone, 3-Hydroxy-coumarin, O-Hydroxyphenylpyruvic acid lactone, 3-hydroxycoumarin, hydroxycoumarin
Esol Class Soluble
Functional Groups c=O, cO, coc
Compound Name 3-Hydroxycoumarin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 162.032
Formal Charge 0.0
Monoisotopic Mass 162.032
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 162.14
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -1.6383594666666665
Inchi InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
Smiles C1=CC=C2C(=C1)C=C(C(=O)O2)O
Nring 2.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Hydroxycoumarins
Np Classifier Superclass Coumarins

  • 1. Outgoing r'ship FOUND_IN to/from Abies Alba (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Acacia Pubescens (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aeollanthus Pubescens (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Avicennia Alba (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Basella Alba (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Betula Pubescens (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Brassica Alba (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Brucea Antidysenterica (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Bryonia Alba (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Caltha Alba (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Calystegia Pubescens (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Canella Alba (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Capsicum Annum (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Capsicum Baccatum (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Capsicum Festigiatum (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Capsicum Frutescens (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Capsicum Minimum (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Capsicum Tetragonum (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Centrosema Pubescens (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Cepa Alba (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Chiococca Alba (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Cinchona Pubescens (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Consolida Pubescens (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Cryptocarya Alba (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Datura Alba (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Eclipta Alba (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Ehretia Pubescens (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Epimedium Pubescens (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Eria Alba (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Eucalyptus Alba (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Euphorbia Pubescens (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Holarrhena Antidysenterica (Plant) Rel Props:Source_db:npass_chem_all
  • 35. Outgoing r'ship FOUND_IN to/from Holarrhena Febrifuga (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Holarrhena Floribunda (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Holarrhena Mitis (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Holarrhena Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Ilex Pubescens (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Ipomea Alba (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Ipomoea Alba (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Kallstroemia Pubescens (Plant) Rel Props:Reference:
  • 43. Outgoing r'ship FOUND_IN to/from Lawsonia Alba (Plant) Rel Props:Reference:
  • 44. Outgoing r'ship FOUND_IN to/from Lippia Alba (Plant) Rel Props:Reference:
  • 45. Outgoing r'ship FOUND_IN to/from Melilotus Alba (Plant) Rel Props:Reference:
  • 46. Outgoing r'ship FOUND_IN to/from Metzgeria Pubescens (Plant) Rel Props:Reference:
  • 47. Outgoing r'ship FOUND_IN to/from Michelia Alba (Plant) Rel Props:Reference:
  • 48. Outgoing r'ship FOUND_IN to/from Micromelum Pubescens (Plant) Rel Props:Reference:
  • 49. Outgoing r'ship FOUND_IN to/from Morinda Pubescens (Plant) Rel Props:Reference:
  • 50. Outgoing r'ship FOUND_IN to/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 51. Outgoing r'ship FOUND_IN to/from Morus Australis (Plant) Rel Props:Reference:
  • 52. Outgoing r'ship FOUND_IN to/from Morus Bombycis (Plant) Rel Props:Reference:
  • 53. Outgoing r'ship FOUND_IN to/from Morus Cathayana (Plant) Rel Props:Reference:
  • 54. Outgoing r'ship FOUND_IN to/from Morus Indica (Plant) Rel Props:Reference:
  • 55. Outgoing r'ship FOUND_IN to/from Morus Macroma (Plant) Rel Props:Reference:
  • 56. Outgoing r'ship FOUND_IN to/from Morus Macroura (Plant) Rel Props:Reference:
  • 57. Outgoing r'ship FOUND_IN to/from Morus Mongolica (Plant) Rel Props:Reference:
  • 58. Outgoing r'ship FOUND_IN to/from Morus Nigra (Plant) Rel Props:Reference:
  • 59. Outgoing r'ship FOUND_IN to/from Morus Rubra (Plant) Rel Props:Reference:
  • 60. Outgoing r'ship FOUND_IN to/from Morus Serrata (Plant) Rel Props:Reference:
  • 61. Outgoing r'ship FOUND_IN to/from Morus Yunnanensis (Plant) Rel Props:Reference:
  • 62. Outgoing r'ship FOUND_IN to/from Mussaenda Pubescens (Plant) Rel Props:Reference:
  • 63. Outgoing r'ship FOUND_IN to/from Nymphaea Alba (Plant) Rel Props:Reference:
  • 64. Outgoing r'ship FOUND_IN to/from Nymphaea Pubescens (Plant) Rel Props:Reference:
  • 65. Outgoing r'ship FOUND_IN to/from Otholobium Pubescens (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Peltogyne Pubescens (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Physalis Pubescens (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Plumeria Alba (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Pogostemon Pubescens (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Populus Alba (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Potentilla Alba (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Rosa Alba (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Salix Alba (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Senna Obtusifolia (Plant) Rel Props:Reference:ISBN:9788185042114
  • 75. Outgoing r'ship FOUND_IN to/from Senna Tora (Plant) Rel Props:Reference:ISBN:9788171360536; ISBN:9788172363178
  • 76. Outgoing r'ship FOUND_IN to/from Sida Alba (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Sigesbeckia Pubescens (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Sinapis Alba (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Solanum Pubescens (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Sonneratia Alba (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Swertia Pubescens (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Syringa Pubescens (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Trifolium Pratense (Plant) Rel Props:Reference:ISBN:9788185042084
  • 85. Outgoing r'ship FOUND_IN to/from Trifolium Repens (Plant) Rel Props:Reference:ISBN:9788185042084
  • 86. Outgoing r'ship FOUND_IN to/from Vasconcellea Pubescens (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Wrightia Antidysenterica (Plant) Rel Props:Reference:
Back to Browse   Back to Home