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

Details

Stereochemistry ABSOLUTE
Molecular Formula C49H74O14
Molecular Weight 887.1035
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVERMECTIN A1A

SMILES

CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C6/CO[C@@H]7[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]67O)O2)C=C[C@@H]1C

InChI

InChIKey=AFSHKCWTGFDXJR-SQOHEDJBSA-N
InChI=1S/C49H74O14/c1-12-26(2)43-29(5)18-19-48(63-43)24-35-21-34(62-48)17-16-28(4)42(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)41(50)31(7)57-39)27(3)14-13-15-33-25-56-46-44(55-11)30(6)20-36(47(51)59-35)49(33,46)52/h13-16,18-20,26-27,29,31-32,34-46,50,52H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,48+,49+/m0/s1

HIDE SMILES / InChI

Molecular Formula C49H74O14
Molecular Weight 887.1035
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 20 / 20
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Tue Apr 01 16:29:42 GMT 2025
Edited
by admin
on Tue Apr 01 16:29:42 GMT 2025
Record UNII
YRI17ZJ0WT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-676891
Preferred Name English
AVERMECTIN A1A
Common Name English
ANTIBIOTIC C-076A1A
Common Name English
Code System Code Type Description
FDA UNII
YRI17ZJ0WT
Created by admin on Tue Apr 01 16:29:42 GMT 2025 , Edited by admin on Tue Apr 01 16:29:42 GMT 2025
PRIMARY
PUBCHEM
9832706
Created by admin on Tue Apr 01 16:29:42 GMT 2025 , Edited by admin on Tue Apr 01 16:29:42 GMT 2025
PRIMARY
CAS
65195-51-9
Created by admin on Tue Apr 01 16:29:42 GMT 2025 , Edited by admin on Tue Apr 01 16:29:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID8058613
Created by admin on Tue Apr 01 16:29:42 GMT 2025 , Edited by admin on Tue Apr 01 16:29:42 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY