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COCONUT Compound

Methylripariochromene A

CNP0398981.0 · C15H18O4 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameMethylripariochromene A
IUPAC Name1-(7,8-dimethoxy-2,2-dimethyl-chromen-6-yl)ethanone
COCONUT IDCNP0398981.0
CAS20819-46-9
InChIKeyAVQQLPJWGXTKFZ-UHFFFAOYSA-N
InChIInChI=1S/C15H18O4/c1-9(16)11-8-10-6-7-15(2,3)19-12(10)14(18-5)13(11)17-4/h6-8H,1-5H3
SMILESCOC1=C(C(C)=O)C=C2C=CC(C)(C)OC2=C1OC

Properties

Molecular FormulaC15H18O4
Molecular Weight262.30
Exact Mass262.12051
Log P (ALogP)3.09
TPSA44.76
H-Bond Donors / Acceptors0 / 4
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.79
NP-likeness1.73

Classification

NP PathwayTerpenoids
NP SuperclassMeroterpenoids
NP ClassMerohemiterpenoids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassBenzopyrans
Chemical Subclass1-benzopyrans

Reported in GR-MAPs Plants

Oryza sativa as “Oryza sativa” in COCONUT

References (10)

  1. 10.1016/0031-9422(71)85045-8
  2. 10.1016/0031-9422(92)80345-F
  3. 10.1016/0031-9422(92)80345-f
  4. 10.1016/S0031-9422(00)80693-7
  5. 10.1016/s0031-9422(00)80693-7
  6. 10.1021/NP50061A023
  7. 10.1248/BPB.22.1083
  8. 10.1248/CPB.47.695
  9. 10.1248/CPB.47.911
  10. 10.1248/CPB.48.433

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.