PCIDB

KNApSAcK Metabolite C00003639

Metabolite

KNApSAcK Entry

id C00003639
Name Thevetin A
CAS RN 37933-66-7
Standard InChI InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3/t18?,20?,21-,22+,23-,24+,25?,26?,28+,29+,30-,31-,32?,33?,34?,35-,36+,37+,38-,39-,40+,41+,42-/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H64O19/c1-18-35(61-38-33(51)31(49)29(47)26(60-38)16-56-37-32(50)30(48)28(46)25(14-43)59-37)36(54-3)34(52)39(57-18)58-21-6-10-41(17-44)20(13-21)4-5-24-23(41)7-9-40(2)22(8-11-42(24,40)53)19-12-27(45)55-15-19/h12,17-18,20-26,28-39,43,46-53H,4-11,13-16H2,1-3H3

Cluster

Phytochemical cluster No. 56
KCF-S cluster No. 272

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08882

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apocynaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Thevetia neriifolia 930818 Apocynaceae asterids Viridiplantae