PCIDB

KNApSAcK Metabolite C00041860

Metabolite

KNApSAcK Entry

id C00041860
Name Secaubryolide / (+)-Secaubryolide
CAS RN 925932-11-2
Standard InChI InChI=1S/C31H44O5/c1-18(2)14-21(32)15-19(3)22-8-10-29(6)24-16-23-26(20(4)27(34)36-23)31(11-9-25(33)35-7)17-30(24,31)13-12-28(22,29)5/h14,19,22-24,26H,4,8-13,15-17H2,1-3,5-7H3/t19-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
Standard InChI (Main Layer) InChI=1S/C31H44O5/c1-18(2)14-21(32)15-19(3)22-8-10-29(6)24-16-23-26(20(4)27(34)36-23)31(11-9-25(33)35-7)17-30(24,31)13-12-28(22,29)5/h14,19,22-24,26H,4,8-13,15-17H2,1-3,5-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 831

Link

ChEMBL

By standard InChI CHEMBL2332132
By standard InChI Main Layer CHEMBL523867 CHEMBL2332132

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Gardenia aubryi 43486 Rubiaceae asterids Viridiplantae

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL2332132 CHEMBL2343645 (1)
0 / 0