PCIDB

KNApSAcK Metabolite C00039972

Metabolite

KNApSAcK Entry

id C00039972
Name Pestalazine A / (+)-Pestalazine A
CAS RN 1082056-99-2
Standard InChI InChI=1S/C37H38N6O4/c1-20(2)15-27-32(44)40-28(33(45)39-27)17-22-19-38-31-23(22)11-8-13-25(31)37-18-30-34(46)41-29(16-21-9-4-3-5-10-21)35(47)43(30)36(37)42-26-14-7-6-12-24(26)37/h3-14,19-20,27-30,36,38,42H,15-18H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)/t27-,28+,29-,30+,36-,37-/m1/s1
Standard InChI (Main Layer) InChI=1S/C37H38N6O4/c1-20(2)15-27-32(44)40-28(33(45)39-27)17-22-19-38-31-23(22)11-8-13-25(31)37-18-30-34(46)41-29(16-21-9-4-3-5-10-21)35(47)43(30)36(37)42-26-14-7-6-12-24(26)37/h3-14,19-20,27-30,36,38,42H,15-18H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)

Cluster

Phytochemical cluster
KCF-S cluster No. 2371

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Amphisphaeriaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pestalotiopsis theae 218556 Amphisphaeriaceae Fungi