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COCONUT Compound

Medicarpin

CNP0214655.2 · C16H14O4 · View on COCONUT ↗

2D Structure

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Identifiers

NameMedicarpin
IUPAC Name(6~{a}~{R},11~{a}~{R})-9-methoxy-6~{a},11~{a}-dihydro-6~{H}-benzofuro[3,2-c]chromen-3-ol
COCONUT IDCNP0214655.2
CAS32383-76-9, 33983-40-3
InChIKeyNSRJSISNDPOJOP-BBRMVZONSA-N
InChIInChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1
SMILESCOC1=CC=C2C(=C1)O[C@H]1C3=CC=C(O)C=C3OC[C@@H]21

Properties

Molecular FormulaC16H14O4
Molecular Weight270.28
Exact Mass270.08921
Log P (ALogP)3.01
TPSA47.92
H-Bond Donors / Acceptors1 / 4
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.86
NP-likeness1.86

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassPterocarpan
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassFuranoisoflavonoids

Reported in GR-MAPs Plants

Mucuna pruriens as “Mucuna Pruriens” in COCONUT
Tephrosia purpurea as “Tephrosia Purpurea” in COCONUT

References (92)

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  3. 10.1002/RCM.1936
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  6. 10.1007/S10600-007-0052-Y
  7. 10.1007/S10600-008-0009-9
  8. 10.1007/S12272-011-0603-4
  9. 10.1016/0031-9422(74)80350-X
  10. 10.1016/0031-9422(79)80020-5
  11. 10.1016/0031-9422(80)85079-5
  12. 10.1016/0031-9422(91)85107-B
  13. 10.1016/0031-9422(92)80205-S
  14. 10.1016/0031-9422(95)93530-S
  15. 10.1016/0305-1978(78)90010-8
  16. 10.1016/0305-1978(79)90037-1
  17. 10.1016/0305-1978(81)90030-2
  18. 10.1016/0305-1978(82)90035-7
  19. 10.1016/0305-1978(93)90090-E
  20. 10.1016/0378-8741(89)90046-9
  21. 10.1016/0952-3278(89)90098-7
  22. 10.1016/J.BMCL.2008.12.064
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  24. 10.1016/J.PHYTOCHEM.2006.10.023
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  27. 10.1016/S0024-3205(00)00435-5
  28. 10.1016/S0031-9422(00)00170-9
  29. 10.1016/S0031-9422(00)00300-9
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  32. 10.1016/S0031-9422(00)89391-7
  33. 10.1016/S0031-9422(00)91321-9
  34. 10.1016/S0031-9422(00)97984-6
  35. 10.1016/S0031-9422(00)98278-5
  36. 10.1016/S0031-9422(97)00517-7
  37. 10.1016/S0031-9422(97)00798-X
  38. 10.1016/S0031-9422(97)00802-9
  39. 10.1016/S0031-9422(97)00838-8
  40. 10.1016/S0031-9422(98)00453-1

Showing 40 of 92. 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.