PCIDB

KNApSAcK Metabolite C00042833

Metabolite

KNApSAcK Entry

id C00042833
Name Pedunculine
CAS RN 168922-21-2
Standard InChI InChI=1S/C43H52N4O7/c1-7-40-13-12-27-43(14-16-46(38(40)43)20-26-35(40)53-26)28-21(10-9-11-24(28)45(27)3)30-33-36(54-33)41(8-2)19-22(37(49)52-6)34-42(15-17-47(30)39(41)42)23-18-25(48)31(50-4)32(51-5)29(23)44-34/h9-11,18,26-27,30,33,35-36,38-39,44,48H,7-8,12-17,19-20H2,1-6H3/t26-,27+,30-,33-,35-,36-,38+,39+,40-,41-,42+,43-/m1/s1
Standard InChI (Main Layer) InChI=1S/C43H52N4O7/c1-7-40-13-12-27-43(14-16-46(38(40)43)20-26-35(40)53-26)28-21(10-9-11-24(28)45(27)3)30-33-36(54-33)41(8-2)19-22(37(49)52-6)34-42(15-17-47(30)39(41)42)23-18-25(48)31(50-4)32(51-5)29(23)44-34/h9-11,18,26-27,30,33,35-36,38-39,44,48H,7-8,12-17,19-20H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1495

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apocynaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Tabernaemontana bovina 52860 Apocynaceae asterids Viridiplantae