PCIDB

KNApSAcK Metabolite C00046228

Metabolite

KNApSAcK Entry

id C00046228
Name Oleoyl neocryptotanshinone
CAS RN 345957-10-0
Standard InChI InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h12-13,23-24,27,40H,5-11,14-22,25-26H2,1-4H3/b13-12-
Standard InChI (Main Layer) InChI=1S/C37H54O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(38)42-26-27(2)32-34(39)29-23-24-30-28(21-20-25-37(30,3)4)33(29)36(41)35(32)40/h12-13,23-24,27,40H,5-11,14-22,25-26H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5394

Link

ChEMBL

By standard InChI CHEMBL445779
By standard InChI Main Layer CHEMBL445779

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
Salvia miltiorrhiza 226208 Lamiaceae asterids Viridiplantae