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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H18O6
Molecular Weight 354.3533
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Gancaonin C

SMILES

C\C(CO)=C/CC1=C(O)C=C(O)C2=C1OC=C(C2=O)C3=CC=C(O)C=C3

InChI

InChIKey=MEADLGUPYQNUNF-BIIKFXOESA-N
InChI=1S/C20H18O6/c1-11(9-21)2-7-14-16(23)8-17(24)18-19(25)15(10-26-20(14)18)12-3-5-13(22)6-4-12/h2-6,8,10,21-24H,7,9H2,1H3/b11-2+

HIDE SMILES / InChI

Molecular Formula C20H18O6
Molecular Weight 354.3533
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:41:41 GMT 2023
Edited
by admin
on Sat Dec 16 15:41:41 GMT 2023
Record UNII
ZWQ7SXH5WZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Gancaonin C
Common Name English
4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-3-(4-hydroxyphenyl)-
Systematic Name English
5,7-Dihydroxy-8-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Systematic Name English
3-(4-Hydroxyphenyl)-8-(3-methyl-4-oxidanyl-but-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID001318280
Created by admin on Sat Dec 16 15:41:41 GMT 2023 , Edited by admin on Sat Dec 16 15:41:41 GMT 2023
PRIMARY
PUBCHEM
6450959
Created by admin on Sat Dec 16 15:41:41 GMT 2023 , Edited by admin on Sat Dec 16 15:41:41 GMT 2023
PRIMARY
FDA UNII
ZWQ7SXH5WZ
Created by admin on Sat Dec 16 15:41:41 GMT 2023 , Edited by admin on Sat Dec 16 15:41:41 GMT 2023
PRIMARY
CAS
124596-87-8
Created by admin on Sat Dec 16 15:41:41 GMT 2023 , Edited by admin on Sat Dec 16 15:41:41 GMT 2023
PRIMARY