PCIDB

KNApSAcK Metabolite C00019798

Metabolite

KNApSAcK Entry

id C00019798
Name 3-(Z)-p-Coumaroylbetulin / (Z)-Betulin-3-p-coumarate / 3-O-(Z)-p-Coumaroylbetulin
CAS RN 144424-81-7
Standard InChI InChI=1S/C39H56O4/c1-25(2)28-16-21-39(24-40)23-22-37(6)29(34(28)39)13-14-31-36(5)19-18-32(35(3,4)30(36)17-20-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-12,15,28-32,34,40-41H,1,13-14,16-24H2,2-7H3/b15-10-/t28-,29?,30?,31?,32-,34?,36-,37+,38+,39+/m0/s1
Standard InChI (Main Layer) InChI=1S/C39H56O4/c1-25(2)28-16-21-39(24-40)23-22-37(6)29(34(28)39)13-14-31-36(5)19-18-32(35(3,4)30(36)17-20-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-12,15,28-32,34,40-41H,1,13-14,16-24H2,2-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 78

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Rutaceae 1
Rosaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Chaenomeles sinensis KOEHNE 36603 Rosaceae rosids Viridiplantae
Phebalium tuberculosum ssp. megaphyllum 77003 Rutaceae rosids Viridiplantae