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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H18N4O2
Molecular Weight 406.436
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASPERLICIN D

SMILES

O=C1N2[C@@H](CC3=CNC4=C3C=CC=C4)C(=O)NC5=CC=CC=C5C2=NC6=CC=CC=C16

InChI

InChIKey=TTYFXJZDLYVOTG-QFIPXVFZSA-N
InChI=1S/C25H18N4O2/c30-24-22(13-15-14-26-19-10-4-1-7-16(15)19)29-23(17-8-2-5-11-20(17)28-24)27-21-12-6-3-9-18(21)25(29)31/h1-12,14,22,26H,13H2,(H,28,30)/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H18N4O2
Molecular Weight 406.436
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Assembly of asperlicin peptidyl alkaloids from anthranilate and tryptophan: a two-enzyme pathway generates heptacyclic scaffold complexity in asperlicin E.
2012 Oct 24
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:50:35 GMT 2023
Edited
by admin
on Sat Dec 16 08:50:35 GMT 2023
Record UNII
IZ1903J97T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASPERLICIN D
MI  
Common Name English
ASPERLICIN D [MI]
Common Name English
QUINAZOLINO(3,2-D)(1,4)BENZODIAZEPINE-6,9(5H,7H)-DIONE, 7-(1H-INDOL-3-YLMETHYL)-, (7S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40918453
Created by admin on Sat Dec 16 08:50:35 GMT 2023 , Edited by admin on Sat Dec 16 08:50:35 GMT 2023
PRIMARY
MERCK INDEX
m2103
Created by admin on Sat Dec 16 08:50:35 GMT 2023 , Edited by admin on Sat Dec 16 08:50:35 GMT 2023
PRIMARY Merck Index
FDA UNII
IZ1903J97T
Created by admin on Sat Dec 16 08:50:35 GMT 2023 , Edited by admin on Sat Dec 16 08:50:35 GMT 2023
PRIMARY
PUBCHEM
146758
Created by admin on Sat Dec 16 08:50:35 GMT 2023 , Edited by admin on Sat Dec 16 08:50:35 GMT 2023
PRIMARY
CAS
93413-07-1
Created by admin on Sat Dec 16 08:50:35 GMT 2023 , Edited by admin on Sat Dec 16 08:50:35 GMT 2023
PRIMARY