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COCONUT Compound

serotonin

CNP0110235.0 · C10H12N2O · View on COCONUT ↗

2D Structure

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Identifiers

Nameserotonin
IUPAC Name3-(2-aminoethyl)-1~{H}-indol-5-ol
COCONUT IDCNP0110235.0
CAS50-67-9, 153-98-0
InChIKeyQZAYGJVTTNCVMB-UHFFFAOYSA-N
InChIInChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
SMILESNCCC1=CNC2=CC=C(O)C=C12

Properties

Molecular FormulaC10H12N2O
Molecular Weight176.22
Exact Mass176.09496
Log P (ALogP)1.37
TPSA62.04
H-Bond Donors / Acceptors3 / 2
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.65
NP-likeness0.64

Classification

NP PathwayAlkaloids
NP SuperclassTryptophan alkaloids
NP ClassSimple indole alkaloids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassIndoles and derivatives
Chemical SubclassIndoles

Reported in GR-MAPs Plants

Mucuna pruriens as “Mucuna Pruriens” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (47)

  1. 10.1002/9780470744307.gat218
  2. 10.1002/JPS.2600520504
  3. 10.1002/biuz.19840140514
  4. 10.1002/food.19880321030
  5. 10.1007/BF00563655
  6. 10.1007/BF00564980
  7. 10.1007/BF00565207
  8. 10.1007/BF00601073
  9. 10.1007/BF00993737
  10. 10.1007/S00114-002-0376-1
  11. 10.1007/S00216-010-4557-Z
  12. 10.1007/S11306-016-1051-4
  13. 10.1007/S15016-017-5929-9
  14. 10.1016/0014-5793(70)80091-6
  15. 10.1016/0031-9422(75)85054-0
  16. 10.1016/0031-9422(93)85453-X
  17. 10.1016/0378-8741(93)90086-K
  18. 10.1016/J.BMCL.2009.01.017
  19. 10.1016/J.JEP.2006.09.006
  20. 10.1016/J.POSTHARVBIO.2013.11.004
  21. 10.1016/S0044-328X(82)80027-5
  22. 10.1016/S0044-328X(83)80104-4
  23. 10.1021/JF000508L
  24. 10.1021/NP020009+
  25. 10.1021/NP200537V
  26. 10.1021/NP50002A017
  27. 10.1021/NP50055A038
  28. 10.1021/NP50076A006
  29. 10.1021/NP50101A015
  30. 10.1038/NBT.2488
  31. 10.1055/S-0028-1100193
  32. 10.1089/JMF.2007.514
  33. 10.1093/pcp/pcn183
  34. 10.1104/PP.69.2.400
  35. 10.1111/J.1476-5381.1965.TB01796.X
  36. 10.1111/PPL.12218
  37. 10.1248/CPB.53.1582
  38. 10.1271/BBB.64.2269
  39. 10.1271/BBB.66.1386
  40. 10.1515/ZNC-1986-5-605

Showing 40 of 47. 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.