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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H47N5O7
Molecular Weight 577.7128
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESTRUXIN A

SMILES

[H][C@@]12CCCN1C(=O)[C@@H](CC=C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@]([H])(NC2=O)[C@@H](C)CC

InChI

InChIKey=XIYSEKITPHTMJT-OCCJOITDSA-N
InChI=1S/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)/t18-,19-,20-,21+,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H47N5O7
Molecular Weight 577.7128
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
88.1 µM [Kd]
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:06:59 GMT 2023
Edited
by admin
on Sat Dec 16 10:06:59 GMT 2023
Record UNII
255H1K2LFG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESTRUXIN A
Common Name English
SB-242533
Code English
NSC-361126
Code English
CYCLO(N-METHYL-L-ALANYL-.BETA.-ALANYL-(2R)-2-HYDROXY-4-PENTENOYL-L-PROLYL-L-ISOLEUCYL-N-METHYL-L-VALYL)
Systematic Name English
DESTRUXIN DA
Common Name English
DESTRUXIN A FROM METARRHIZIUM ANISOPLIAE
Common Name English
Code System Code Type Description
CAS
6686-70-0
Created by admin on Sat Dec 16 10:06:59 GMT 2023 , Edited by admin on Sat Dec 16 10:06:59 GMT 2023
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FDA UNII
255H1K2LFG
Created by admin on Sat Dec 16 10:06:59 GMT 2023 , Edited by admin on Sat Dec 16 10:06:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID60985485
Created by admin on Sat Dec 16 10:06:59 GMT 2023 , Edited by admin on Sat Dec 16 10:06:59 GMT 2023
PRIMARY
PUBCHEM
11421831
Created by admin on Sat Dec 16 10:06:59 GMT 2023 , Edited by admin on Sat Dec 16 10:06:59 GMT 2023
PRIMARY
NSC
361126
Created by admin on Sat Dec 16 10:06:59 GMT 2023 , Edited by admin on Sat Dec 16 10:06:59 GMT 2023
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