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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H27N3O2
Molecular Weight 389.4901
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOECHINULIN B

SMILES

CC(C)=CCC1=CC2=C(NC(=C2\C=C3/NC(=O)C(=C)NC3=O)C(C)(C)C=C)C=C1

InChI

InChIKey=YXEBXGSIECYEQC-MOSHPQCFSA-N
InChI=1S/C24H27N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-12-16(9-8-14(2)3)10-11-19(17)26-21/h7-8,10-13,26H,1,4,9H2,2-3,5-6H3,(H,25,29)(H,27,28)/b20-13-

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOECHINULIN B
Common Name English
(3Z)-3-((2-(1,1-DIMETHYL-2-PROPEN-1-YL)-5-(3-METHYL-2-BUTEN-1-YL)-1H-INDOL-3-YL)METHYLENE)-6-METHYLENE-2,5-PIPERAZINEDIONE
Systematic Name English
2,5-PIPERAZINEDIONE, 3-((2-(1,1-DIMETHYL-2-PROPEN-1-YL)-5-(3-METHYL-2-BUTEN-1-YL)-1H-INDOL-3-YL)METHYLENE)-6-METHYLENE-, (3Z)-
Systematic Name English
Code System Code Type Description
CAS
60422-88-0
Created by admin on Sat Dec 16 19:12:00 GMT 2023 , Edited by admin on Sat Dec 16 19:12:00 GMT 2023
PRIMARY
FDA UNII
CLV92KG1KO
Created by admin on Sat Dec 16 19:12:00 GMT 2023 , Edited by admin on Sat Dec 16 19:12:00 GMT 2023
PRIMARY
PUBCHEM
44445556
Created by admin on Sat Dec 16 19:12:00 GMT 2023 , Edited by admin on Sat Dec 16 19:12:00 GMT 2023
PRIMARY