PCIDB

KNApSAcK Metabolite C00033278

Metabolite

KNApSAcK Entry

id C00033278
Name Orthosiphonone A / (-)-Orthosiphonone A
CAS RN 237417-08-2
Standard InChI InChI=1S/C38H42O11/c1-8-36(6)20-25(41)29-37(7)26(19-27(46-21(2)39)38(29,45)34(36)44)35(4,5)30(48-32(42)23-15-11-9-12-16-23)28(47-22(3)40)31(37)49-33(43)24-17-13-10-14-18-24/h8-18,26-31,45H,1,19-20H2,2-7H3/t26-,27+,28-,29+,30+,31-,36-,37-,38-/m0/s1
Standard InChI (Main Layer) InChI=1S/C38H42O11/c1-8-36(6)20-25(41)29-37(7)26(19-27(46-21(2)39)38(29,45)34(36)44)35(4,5)30(48-32(42)23-15-11-9-12-16-23)28(47-22(3)40)31(37)49-33(43)24-17-13-10-14-18-24/h8-18,26-31,45H,1,19-20H2,2-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 160

Link

ChEMBL

By standard InChI CHEMBL447412
By standard InChI Main Layer CHEMBL447412

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Lamiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Orthosiphon aristatus 204151 Lamiaceae asterids Viridiplantae
Orthosiphon stamineus 260636 Lamiaceae asterids Viridiplantae