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COCONUT Compound

Corynan-17-ol

CNP0155698.2 · C19H26N2O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameCorynan-17-ol
IUPAC Name2-[(2~{R},3~{R},12~{b}~{S})-3-ethyl-1,2,3,4,6,7,12,12~{b}-octahydroindolo[2,3-a]quinolizin-2-yl]ethanol
COCONUT IDCNP0155698.2
CAS2270-72-6
InChIKeyKBMIVGVAJKVWBU-DEYYWGMASA-N
InChIInChI=1S/C19H26N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-6,13-14,18,20,22H,2,7-12H2,1H3/t13-,14-,18-/m0/s1
SMILESCC[C@H]1CN2CCC3=C(NC4=CC=CC=C34)[C@@H]2C[C@@H]1CCO

Properties

Molecular FormulaC19H26N2O
Molecular Weight298.43
Exact Mass298.20451
Log P (ALogP)3.50
TPSA39.26
H-Bond Donors / Acceptors2 / 2
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.91
NP-likeness1.16

Classification

NP PathwayAlkaloids
NP SuperclassTryptophan alkaloids
NP ClassCorynanthe type
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassIndoles and derivatives
Chemical SubclassPyridoindoles

Reported in GR-MAPs Plants

Catharanthus roseus as “Catharanthus roseus” in COCONUT

References (14)

  1. 10.1002/HLCA.19670500129
  2. 10.1007/S10600-014-0857-4
  3. 10.1016/S0031-9422(00)83601-8
  4. 10.1016/S0031-9422(00)88555-6
  5. 10.1021/JO01041A001
  6. 10.1021/JO01059A540
  7. 10.1021/NP50014A009
  8. 10.1021/NP50029A018
  9. 10.1021/NP50065A030
  10. 10.1021/acs.jnatprod.5b01035
  11. 10.1021/np50014a009
  12. 10.1039/D2RA01791A
  13. 10.1055/S-0028-1099465
  14. 10.1055/S-2007-969080

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.