PCIDB

KNApSAcK Metabolite C00039668

Metabolite

KNApSAcK Entry

id C00039668
Name Lupulin A
CAS RN 176739-76-7
Standard InChI InChI=1S/C30H46O10/c1-8-15(2)26(34)40-25-21(33)12-22-28(7,23-11-20-10-17(4)37-27(20)39-23)16(3)9-24(38-19(6)32)29(22,13-35-18(5)31)30(25)14-36-30/h15-17,20-25,27,33H,8-14H2,1-7H3/t15?,16-,17-,20-,21-,22-,23+,24+,25+,27+,28+,29+,30-/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H46O10/c1-8-15(2)26(34)40-25-21(33)12-22-28(7,23-11-20-10-17(4)37-27(20)39-23)16(3)9-24(38-19(6)32)29(22,13-35-18(5)31)30(25)14-36-30/h15-17,20-25,27,33H,8-14H2,1-7H3

Cluster

Phytochemical cluster No. 43
KCF-S cluster No. 172

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
Ajuga pseudoiva 38595 Lamiaceae asterids Viridiplantae