U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C30H20O11
Molecular Weight 556.4732
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Morelloflavone, (±)-

SMILES

OC1=CC=C(C=C1)[C@@H]2OC3=CC(O)=CC(O)=C3C(=O)[C@H]2C4=C5OC(=CC(=O)C5=C(O)C=C4O)C6=CC=C(O)C(O)=C6

InChI

InChIKey=GFWPWSNIXRDQJC-PXJZQJOASA-N
InChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H/t27-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H20O11
Molecular Weight 556.4732
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:03:53 GMT 2025
Edited
by admin
on Wed Apr 02 16:03:53 GMT 2025
Record UNII
4B2DSN2K2X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Morelloflavone, (±)-
Common Name English
(±)-Fukugetin
Preferred Name English
rel-(2R,3S)-2?-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,5?,7,7?-tetrahydroxy-2-(4-hydroxyphenyl)[3,8?-bi-4H-1-benzopyran]-4,4?-dione
Systematic Name English
dl-Fukugetin
Common Name English
[3,8?-Bi-4H-1-benzopyran]-4,4?-dione, 2?-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5?,7,7?-tetrahydroxy-2-(4-hydroxyphenyl)-, trans-(±)-
Systematic Name English
[3,8?-Bi-4H-1-benzopyran]-4,4?-dione, 2?-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5?,7,7?-tetrahydroxy-2-(4-hydroxyphenyl)-, (2R,3S)-rel-
Systematic Name English
Code System Code Type Description
FDA UNII
4B2DSN2K2X
Created by admin on Wed Apr 02 16:03:53 GMT 2025 , Edited by admin on Wed Apr 02 16:03:53 GMT 2025
PRIMARY
CAS
21945-33-5
Created by admin on Wed Apr 02 16:03:53 GMT 2025 , Edited by admin on Wed Apr 02 16:03:53 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE