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COCONUT Compound

parvisoflavones-B

CNP0171280.0 · C20H16O6 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Nameparvisoflavones-B
IUPAC Name7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-pyrano[3,2-g]chromen-6-one
COCONUT IDCNP0171280.0
InChIKeyYKYNYMQDXOWMDT-UHFFFAOYSA-N
InChIInChI=1S/C20H16O6/c1-20(2)6-5-12-15(26-20)8-16-17(18(12)23)19(24)13(9-25-16)11-4-3-10(21)7-14(11)22/h3-9,21-23H,1-2H3
SMILESCC1(C)C=CC2=C(C=C3OC=C(C4=CC=C(O)C=C4O)C(=O)C3=C2O)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-likeness2.46

Classification

NP PathwayShikimates and Phenylpropanoids
NP SuperclassIsoflavonoids
NP ClassIsoflavones
Chemical SuperclassPhenylpropanoids and polyketides
Chemical ClassIsoflavonoids
Chemical SubclassIsoflav-2-enes

Reported in GR-MAPs Plants

Glycyrrhiza glabra as “Glycyrrhiza glabra” in COCONUT

References (14)

  1. 10.1002/(SICI)1099-1565(199907/08)10:4<198::AID-PCA454>3.0.CO;2-C
  2. 10.1002/CBDV.200900227
  3. 10.1016/0031-9422(73)85049-6
  4. 10.1016/S0021-9673(00)91283-4
  5. 10.1016/S0031-9422(00)84936-5
  6. 10.1021/NP0580107
  7. 10.1021/acs.jnatprod.6b00839
  8. 10.1021/np0580107
  9. 10.1080/00021369.1986.10867638
  10. 10.1248/CPB.56.85
  11. 10.1248/YAKUSHI.123.619
  12. 10.1515/ZNC-1990-3-402
  13. 10.1515/ZNC-1991-5-602
  14. 10.3987/COM-97-7906

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.