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COCONUT Compound

Annphenone

CNP0293459.1 · C15H20O9 · View on COCONUT ↗

2D Structure

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Identifiers

NameAnnphenone
IUPAC Name1-[2-hydroxy-6-methoxy-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethanone
COCONUT IDCNP0293459.1
CAS61775-18-6
InChIKeyDNMNFEFVHVMPES-TVKJYDDYSA-N
InChIInChI=1S/C15H20O9/c1-6(17)11-8(18)3-7(4-9(11)22-2)23-15-14(21)13(20)12(19)10(5-16)24-15/h3-4,10,12-16,18-21H,5H2,1-2H3/t10-,12-,13+,14-,15-/m1/s1
SMILESCOC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(C)=O

Properties

Molecular FormulaC15H20O9
Molecular Weight344.32
Exact Mass344.11073
Log P (ALogP)-1.22
TPSA145.91
H-Bond Donors / Acceptors5 / 9
Rotatable Bonds5
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.41
NP-likeness1.97

Classification

NP PathwayPolyketides
NP SuperclassPhloroglucinols
NP ClassAcyl phloroglucinols
Chemical SuperclassOrganic oxygen compounds
Chemical ClassOrganooxygen compounds
Chemical SubclassCarbonyl compounds

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua” in COCONUT

References (6)

  1. 10.1007/S11418-009-0385-X
  2. 10.1016/0031-9422(91)85044-Z
  3. 10.1016/J.BMCL.2015.02.024
  4. 10.1016/S0031-9422(01)00247-3
  5. 10.1016/S0031-9422(96)00424-4
  6. 10.1080/10286020.2010.503652

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.