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COCONUT Compound

Cianidanol

CNP0293352.3 · C15H14O6 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameCianidanol
IUPAC Name(2~{R},3~{S})-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol
COCONUT IDCNP0293352.3
CAS154-23-4, 7295-85-4, 100786-01-4, 8001-48-7, 154-23-4 , anhydride, 321-01-7
InChIKeyPFTAWBLQPZVEMU-DZGCQCFKSA-N
InChIInChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
SMILESOC1=CC(O)=C2C[C@H](O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C1

Properties

Molecular FormulaC15H14O6
Molecular Weight290.27
Exact Mass290.07904
Log P (ALogP)1.55
TPSA110.38
H-Bond Donors / Acceptors5 / 6
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.51
NP-likeness2.30

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassFlavonoids
NP ClassFlavan-3-ols
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassFlavonoids
Chemical SubclassFlavans

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Centella asiatica as “Centella asiatica” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Mentha piperita as “Mentha piperita piperita; Mentha X piperita” in COCONUT
Daucus carota as “Daucus Carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Azadirachta indica as “Azadirachta indica” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Emblica officinalis as “Phyllanthus Emblica” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (682)

  1. 10.1002/(SICI)1097-0142(19960415)77:8+<1662::AID-CNCR12>3.0.CO;2-W
  2. 10.1002/(SICI)1097-458X(199611)34:11<887::AID-OMR995>3.0.CO;2-U
  3. 10.1002/(SICI)1099-1565(199601)7:1<42::AID-PCA282>3.0.CO;2-K
  4. 10.1002/(SICI)1099-1565(200003/04)11:2<106::AID-PCA496>3.0.CO;2-O
  5. 10.1002/(SICI)1099-1573(1998)12:1+<S138::AID-PTR276>3.0.CO;2-5
  6. 10.1002/(SICI)1099-1573(199805)12:3<209::AID-PTR215>3.0.CO;2-P
  7. 10.1002/(SICI)1099-1573(199809)12:6<442::AID-PTR320>3.0.CO;2-Y
  8. 10.1002/(SICI)1521-4168(19990401)22:4<225::AID-JHRC225>3.0.CO;2-V
  9. 10.1002/1099-1573(200011)14:7<501::AID-PTR655>3.0.CO;2-B
  10. 10.1002/9780470744307.gat218
  11. 10.1002/CBDV.201000279
  12. 10.1002/CBDV.201000373
  13. 10.1002/CBDV.201100002
  14. 10.1002/CHIN.200317197
  15. 10.1002/CHIN.200407160
  16. 10.1002/CHIN.200543206
  17. 10.1002/ELPS.200390159
  18. 10.1002/ELPS.201300646
  19. 10.1002/HLCA.200590178
  20. 10.1002/HLCA.200890115
  21. 10.1002/J.1537-2197.1986.TB10906.X
  22. 10.1002/JCCS.199300096
  23. 10.1002/JCCS.199500018
  24. 10.1002/JCCS.199500076
  25. 10.1002/JCCS.199600013
  26. 10.1002/JCCS.200000178
  27. 10.1002/JCCS.200200020
  28. 10.1002/JCCS.200700013
  29. 10.1002/JLAC.19545870304
  30. 10.1002/JMS.3818
  31. 10.1002/JMS.395
  32. 10.1002/JSFA.6627
  33. 10.1002/JSFA.7075
  34. 10.1002/JSSC.200500003
  35. 10.1002/MNFR.200400064
  36. 10.1002/MNFR.200500064
  37. 10.1002/PCA.548
  38. 10.1002/PCA.583
  39. 10.1002/PCA.627
  40. 10.1002/PTR.1513

Showing 40 of 682. 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.