PCIDB

KNApSAcK Metabolite C00031228

Metabolite

KNApSAcK Entry

id C00031228
Name Rotungenic acid / (+)-Rotungenic acid
CAS RN 121467-43-4
Standard InChI InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26-,27-,28-,29-,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 13

Link

ChEMBL

By standard InChI CHEMBL493908
By standard InChI Main Layer CHEMBL523209 CHEMBL493908 CHEMBL1271052

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Ebenaceae 1
Rubiaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Diospyros kaki 35925 Ebenaceae asterids Viridiplantae
Morinda citrifolia L. 43522 Rubiaceae asterids Viridiplantae

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P18031 Tyrosine-protein phosphatase non-receptor type 1 Tyr CHEMBL523209 CHEMBL493908 CHEMBL1271052 CHEMBL1036591 (2) CHEMBL2089751 (1)
0 / 0
P15559 NAD(P)H dehydrogenase [quinone] 1 Enzyme CHEMBL493908 CHEMBL1004305 (1)
0 / 0