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Substance Name: Neoquassine
RN: 76-77-7
UNII: 9MQ0P9426V
InChIKey: BDQNCUODBJZKIY-NUPPOKJBSA-N

Note

  • A CYP1A1 inhibitor isolated from Picrasma excelsa.

Molecular Formula

  • C22-H30-O6

Molecular Weight

  • 390.473
 
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Names and Synonyms

Results Name

  • Neoquassine

Name of Substance

  • Neoquassin

Synonyms

  • Neoquassin
  • Neoquassine
  • Nigakihemiacetal B
  • NSC 139168
  • Simalikahemiacetal A
  • UNII-9MQ0P9426V

Systematic Name

  • Picrasa-2,12-diene-1,11-dione, 16-hydroxy-2,12-dimethoxy- (9CI)

Registry Numbers

CAS Registry Number

  • 76-77-7

FDA UNII

  • 9MQ0P9426V

System Generated Number

  • 0000076777

Structure Descriptors

InChI

1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1

InChIKey

BDQNCUODBJZKIY-NUPPOKJBSA-N

Smiles

C1([C@H]2[C@@]3([C@@H](C[C@@H](O[C@@H]3C[C@@H]3[C@@]2(C(C(=C[C@H]3C)OC)=O)C)O)C(=C1OC)C)C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 227 deg C   EXP

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