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COCONUT Compound

Parvisoflavone A

CNP0346737.0 · C20H16O6 · View on COCONUT ↗

2D Structure

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Identifiers

NameParvisoflavone A
IUPAC Name3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-pyrano[2,3-h]chromen-4-one
COCONUT IDCNP0346737.0
CAS50277-01-5
InChIKeyFNSFANUGPIQSTR-UHFFFAOYSA-N
InChIInChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-9,21-23H,1-2H3
SMILESCC1(C)C=CC2=C(C=C(O)C3=C2OC=C(C2=CC=C(O)C=C2O)C3=O)O1

Properties

Molecular FormulaC20H16O6
Molecular Weight352.34
Exact Mass352.09469
Log P (ALogP)3.76
TPSA100.13
H-Bond Donors / Acceptors3 / 6
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.62
NP-likeness2.42

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassIsoflavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassPyranoisoflavonoids

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (7)

  1. 10.1016/0031-9422(73)85049-6
  2. 10.1016/0031-9422(94)00971-U
  3. 10.1021/ACS.JNATPROD.6B00783
  4. 10.1021/NP0580107
  5. 10.1021/acs.jnatprod.6b00783
  6. 10.1021/np0580107
  7. 10.1080/00021369.1986.10867638

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.