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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H20N2O3
Molecular Weight 360.4058
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Alstoscholarine, (Z)-(-)-

SMILES

COC(=O)[C@@H]1[C@H]2C[C@H](N3C(C=O)=CC=C3\C2=C/C)C4=C1C5=C(N4)C=CC=C5

InChI

InChIKey=LMQWGENTCNSYQP-WPONGAHRSA-N
InChI=1S/C22H20N2O3/c1-3-13-15-10-18(24-12(11-25)8-9-17(13)24)21-19(20(15)22(26)27-2)14-6-4-5-7-16(14)23-21/h3-9,11,15,18,20,23H,10H2,1-2H3/b13-3-/t15-,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H20N2O3
Molecular Weight 360.4058
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:00:52 GMT 2025
Edited
by admin
on Wed Apr 02 20:00:52 GMT 2025
Record UNII
6B8J35YN9A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Alstoscholarine, (Z)-(-)-
Common Name English
(Z)-(-)-Alstoscholarine
Preferred Name English
Z-Alstoscholarine
Common Name English
5,12-Methano-4H-pyrrolo[1?,2?:1,8]azocino[3,4-b]indole-6-carboxylic acid, 4-ethylidene-1-formyl-5,6,11,12-tetrahydro-, methyl ester, (4Z,5R,6R,12S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
16215340
Created by admin on Wed Apr 02 20:00:52 GMT 2025 , Edited by admin on Wed Apr 02 20:00:52 GMT 2025
PRIMARY
CAS
937245-48-2
Created by admin on Wed Apr 02 20:00:52 GMT 2025 , Edited by admin on Wed Apr 02 20:00:52 GMT 2025
PRIMARY
FDA UNII
6B8J35YN9A
Created by admin on Wed Apr 02 20:00:52 GMT 2025 , Edited by admin on Wed Apr 02 20:00:52 GMT 2025
PRIMARY
Related Record Type Details
PARENT ORGANISM -> PART/FRACTION