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Substance Name: Gentisin
RN: 437-50-3
UNII: K57MOP2HM0
InChIKey: XOXYHGOIRWABTC-UHFFFAOYSA-N

Note

  • A hydroxyxanthone from methanol extract of Gentianae (Gentian?) radix and Calophyllum.

Classification Code

  • Mutation Data

Molecular Formula

  • C14-H10-O5

Molecular Weight

  • 258.228
 
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Names and Synonyms

Name of Substance

  • Gentisin

Synonyms

  • 1,7-Dihydroxy-3-methoxyxanthen-9-one
  • 5-18-04-00497 (Beilstein Handbook Reference)
  • 9H-Xanthen-9-one, 1,7-dihydroxy-3-methoxy-
  • BRN 0384788
  • CCRIS 3151
  • EINECS 207-114-1
  • Gentianic acid
  • Gentianin
  • Gentisin
  • Gentisine
  • UNII-K57MOP2HM0

Systematic Names

  • 1,7-Dihydroxy-3-methoxyxanthen-9-one
  • Gentisin
  • Xanthen-9-one, 1,7-dihydroxy-3-methoxy-

Registry Numbers

CAS Registry Number

  • 437-50-3

FDA UNII

  • K57MOP2HM0

System Generated Number

  • 0000437503

Structure Descriptors

InChI

1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3

InChIKey

XOXYHGOIRWABTC-UHFFFAOYSA-N

Smiles

c12c(oc3ccc(cc3c1=O)O)cc(OC)cc2O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 266.5 deg C   EXP
log P (octanol-water) 3.740 (none)   EST
Water Solubility 300 mg/L 16 EXP
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.