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

Details

Stereochemistry ACHIRAL
Molecular Formula C29H34N2O3
Molecular Weight 458.5919
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Corallocin C

SMILES

COC1=C(C\C=C(/C)CCC=C(C)C)C(O)=C2CN(CCC3=CNC4=C3C=CC=C4)C(=O)C2=C1

InChI

InChIKey=KBDZJFMUKPGBBP-UDWIEESQSA-N
InChI=1S/C29H34N2O3/c1-19(2)8-7-9-20(3)12-13-23-27(34-4)16-24-25(28(23)32)18-31(29(24)33)15-14-21-17-30-26-11-6-5-10-22(21)26/h5-6,8,10-12,16-17,30,32H,7,9,13-15,18H2,1-4H3/b20-12+

HIDE SMILES / InChI

Molecular Formula C29H34N2O3
Molecular Weight 458.5919
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 19:36:13 GMT 2023
Edited
by admin
on Sat Dec 16 19:36:13 GMT 2023
Record UNII
AR899YG72E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Corallocin C
Common Name English
5-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-2-[2-(1H-indol-3-yl)ethyl]-6-methoxy-1H-isoindol-1-one
Systematic Name English
1H-Isoindol-1-one, 5-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2,3-dihydro-4-hydroxy-2-[2-(1H-indol-3-yl)ethyl]-6-methoxy-
Systematic Name English
Code System Code Type Description
CAS
2002492-45-5
Created by admin on Sat Dec 16 19:36:13 GMT 2023 , Edited by admin on Sat Dec 16 19:36:13 GMT 2023
PRIMARY
PUBCHEM
132524620
Created by admin on Sat Dec 16 19:36:13 GMT 2023 , Edited by admin on Sat Dec 16 19:36:13 GMT 2023
PRIMARY
FDA UNII
AR899YG72E
Created by admin on Sat Dec 16 19:36:13 GMT 2023 , Edited by admin on Sat Dec 16 19:36:13 GMT 2023
PRIMARY
Related Record Type Details
TARGET->ACTIVATOR OF EXPRESSION
mRNA expression in human 1321N1 astrocytes.
MAXIMUM FOLD INCREASE
TARGET->ACTIVATOR OF EXPRESSION
The endogenous mRNA level of BDNF in 1321N1 astrocytes seemed to be much higher than that of NGF, slightly increased BDNF expression by about 1.5 fold
MAXIMUM FOLD INCREASE
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
Induced nerve growth factor and brain-derived neurotrophic factor expression in human 1321N1 astrocytes.