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COCONUT Compound

ERIODICTYOL

CNP0229912.1 · C15H12O6 · View on COCONUT ↗

2D Structure

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Identifiers

NameERIODICTYOL
IUPAC Name(2~{S})-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-4-one
COCONUT IDCNP0229912.1
CAS552-58-9
InChIKeySBHXYTNGIZCORC-ZDUSSCGKSA-N
InChIInChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
SMILESO=C1C[C@@H](C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12

Properties

Molecular FormulaC15H12O6
Molecular Weight288.26
Exact Mass288.06339
Log P (ALogP)2.22
TPSA107.22
H-Bond Donors / Acceptors4 / 6
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.60
NP-likeness1.88

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavanones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavans

Reported in GR-MAPs Plants

Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Artemisia annua as “Artemisia annua” 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
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Emblica officinalis as “Phyllanthus Emblica” in COCONUT

References (182)

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  4. 10.1002/ELPS.201300646
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  6. 10.1002/JCCS.199700056
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  8. 10.1002/JCCS.200800033
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  16. 10.1007/S10600-005-0133-8
  17. 10.1007/S10600-006-0089-3
  18. 10.1007/S10600-011-9853-0
  19. 10.1007/S11094-020-02277-W
  20. 10.1016/0031-9422(80)83080-9
  21. 10.1016/0031-9422(81)85107-2
  22. 10.1016/0031-9422(82)80149-0
  23. 10.1016/0031-9422(83)80110-1
  24. 10.1016/0031-9422(88)80455-2
  25. 10.1016/0031-9422(88)80767-2
  26. 10.1016/0031-9422(90)80037-H
  27. 10.1016/0031-9422(90)80180-O
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  31. 10.1016/0031-9422(91)83067-U
  32. 10.1016/0031-9422(91)85116-H
  33. 10.1016/0031-9422(93)85293-Z
  34. 10.1016/0031-9422(95)00217-U
  35. 10.1016/0031-9422(95)00776-8
  36. 10.1016/0031-9422(96)00104-5
  37. 10.1016/0305-1978(87)90101-3
  38. 10.1016/0305-1978(88)90048-8
  39. 10.1016/0305-1978(95)00017-O
  40. 10.1016/B978-0-12-818162-1.00040-7

Showing 40 of 182. 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.