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COCONUT Compound

Strophanthidol

CNP0210182.2 · C23H34O6 · View on COCONUT ↗

2D Structure

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Identifiers

NameStrophanthidol
IUPAC Name3-[(3~{S},5~{S},8~{R},9~{S},10~{R},13~{R},14~{S},17~{R})-3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2~{H}-furan-5-one
COCONUT IDCNP0210182.2
CAS560-54-3
InChIKeyZNDMLUUNNNHNKC-HZXDTFASSA-N
InChIInChI=1S/C23H34O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,15-18,24-25,27-28H,2-9,11-13H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

Properties

Molecular FormulaC23H34O6
Molecular Weight406.52
Exact Mass406.23554
Log P (ALogP)1.69
TPSA107.22
H-Bond Donors / Acceptors4 / 6
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.52
NP-likeness3.21

Classification

NP PathwayTerpenoids
NP SuperclassSteroids
NP ClassCardenolides
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassSteroids and steroid derivatives
Chemical SubclassSteroid lactones

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT

References (11)

  1. 10.1002/HLCA.19500330328
  2. 10.1002/food.19880321030
  3. 10.1007/BF00630237
  4. 10.1016/0031-9422(74)85094-6
  5. 10.1016/J.BMC.2014.01.052
  6. 10.1016/J.CHROMA.2004.03.057
  7. 10.1016/S0031-9422(98)00421-X
  8. 10.1016/s0031-9422(00)82222-0
  9. 10.1021/NP9005212
  10. 10.1248/CPB.56.1005
  11. 10.4236/jacen.2015.42005

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.