PCIDB

KNApSAcK Metabolite C00031880

Metabolite

KNApSAcK Entry

id C00031880
Name Incarvillateine E / (-)-Incarvillateine E
CAS RN 870245-68-4
Standard InChI InChI=1S/C53H81N3O8/c1-28(17-48(58)62-44-19-36-29(2)22-54(9)25-39(36)32(44)5)13-15-42-49(51(59)63-45-20-37-30(3)23-55(10)26-40(37)33(45)6)50(35-14-16-43(57)47(18-35)61-12)53(42,8)52(60)64-46-21-38-31(4)24-56(11)27-41(38)34(46)7/h14,16-18,29-34,36-42,44-46,49-50,57H,13,15,19-27H2,1-12H3/b28-17+/t29-,30-,31-,32-,33-,34-,36-,37-,38-,39-,40-,41-,42-,44+,45+,46-,49-,50-,53-/m0/s1
Standard InChI (Main Layer) InChI=1S/C53H81N3O8/c1-28(17-48(58)62-44-19-36-29(2)22-54(9)25-39(36)32(44)5)13-15-42-49(51(59)63-45-20-37-30(3)23-55(10)26-40(37)33(45)6)50(35-14-16-43(57)47(18-35)61-12)53(42,8)52(60)64-46-21-38-31(4)24-56(11)27-41(38)34(46)7/h14,16-18,29-34,36-42,44-46,49-50,57H,13,15,19-27H2,1-12H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5874

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
Bignoniaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Incarvillea sinensis 291312 Bignoniaceae asterids Viridiplantae