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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H56O13
Molecular Weight 696.822
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PERIPLOCIN

SMILES

CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)O[C@H](C)[C@H]1O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=KWBPKUMWVXUSCA-AXQDKOMKSA-N
InChI=1S/C36H56O13/c1-18-31(49-32-30(41)29(40)28(39)25(16-37)48-32)24(44-4)14-27(46-18)47-20-5-9-33(2)22-6-10-34(3)21(19-13-26(38)45-17-19)8-12-36(34,43)23(22)7-11-35(33,42)15-20/h13,18,20-25,27-32,37,39-43H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H56O13
Molecular Weight 696.822
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: AKT/ERK signaling pathways
Target ID: beta-catenin/TCF signaling
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:06:43 GMT 2025
Edited
by admin
on Mon Mar 31 22:06:43 GMT 2025
Record UNII
199X940O3K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PERIPLOCIN
MI  
Common Name English
PERIPLOCIN [MI]
Preferred Name English
CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-3-O-METHYL-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-5,14-DIHYDROXY-, (3.BETA.,5.BETA.)-
Systematic Name English
PERIPLOGENIN 3-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4)-.BETA.-D-CYMAROPYRANOSIDE)
Systematic Name English
PERIPLOCOSIDE
Common Name English
Code System Code Type Description
MERCK INDEX
m8559
Created by admin on Mon Mar 31 22:06:43 GMT 2025 , Edited by admin on Mon Mar 31 22:06:43 GMT 2025
PRIMARY Merck Index
CAS
20728-06-7
Created by admin on Mon Mar 31 22:06:43 GMT 2025 , Edited by admin on Mon Mar 31 22:06:43 GMT 2025
SUPERSEDED
CAS
802562-53-4
Created by admin on Mon Mar 31 22:06:43 GMT 2025 , Edited by admin on Mon Mar 31 22:06:43 GMT 2025
SUPERSEDED
FDA UNII
199X940O3K
Created by admin on Mon Mar 31 22:06:43 GMT 2025 , Edited by admin on Mon Mar 31 22:06:43 GMT 2025
PRIMARY
EPA CompTox
DTXSID501030586
Created by admin on Mon Mar 31 22:06:43 GMT 2025 , Edited by admin on Mon Mar 31 22:06:43 GMT 2025
PRIMARY
CAS
30899-79-7
Created by admin on Mon Mar 31 22:06:43 GMT 2025 , Edited by admin on Mon Mar 31 22:06:43 GMT 2025
SUPERSEDED
PUBCHEM
14463159
Created by admin on Mon Mar 31 22:06:43 GMT 2025 , Edited by admin on Mon Mar 31 22:06:43 GMT 2025
PRIMARY
CAS
13137-64-9
Created by admin on Mon Mar 31 22:06:43 GMT 2025 , Edited by admin on Mon Mar 31 22:06:43 GMT 2025
PRIMARY
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