PERIPLOCIN

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 Search

SMILES

[H][C@@]1(C[C@H](OC)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1)O[C@H]3CC[C@]4(C)[C@@]5([H])CC[C@]6(C)[C@H](CC[C@]6(O)[C@]5([H])CC[C@]4(O)C3)C7=CC(=O)OC7

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
ERK1/2-EGR1 pathway 2 Target ID: ERK1/2-EGR1 pathway Sources: https://www.ncbi.nlm.nih.gov/pubmed/27160973	Activator 1430
AKT/ERK signaling pathways 2 Target ID: AKT/ERK signaling pathways Sources: https://www.ncbi.nlm.nih.gov/pubmed/21063098	Blocker 537
beta-catenin/TCF signaling 2 Target ID: beta-catenin/TCF signaling Sources: https://www.ncbi.nlm.nih.gov/pubmed/20596624	Modulator 828

Name

Type

Language

PERIPLOCIN

Common 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

PERIPLOCIN [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m8559