PCIDB

KNApSAcK Metabolite C00014103

Metabolite

KNApSAcK Entry

id C00014103
Name Orientin 2''-O-caffeate
CAS RN 220726-08-9
Standard InChI InChI=1S/C30H26O14/c31-11-22-26(40)27(41)30(44-23(39)6-2-12-1-4-14(32)16(34)7-12)29(43-22)25-19(37)9-18(36)24-20(38)10-21(42-28(24)25)13-3-5-15(33)17(35)8-13/h1-10,22,26-27,29-37,40-41H,11H2/b6-2+/t22?,26-,27+,29+,30?/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H26O14/c31-11-22-26(40)27(41)30(44-23(39)6-2-12-1-4-14(32)16(34)7-12)29(43-22)25-19(37)9-18(36)24-20(38)10-21(42-28(24)25)13-3-5-15(33)17(35)8-13/h1-10,22,26-27,29-37,40-41H,11H2

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 30

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
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Vitex polygama 54476 Lamiaceae asterids Viridiplantae