PCIDB

KNApSAcK Metabolite C00029789

Metabolite

KNApSAcK Entry

id C00029789
Name Barbinervic acid
CAS RN 64199-78-6
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 CHEMBL523209
By standard InChI Main Layer CHEMBL523209 CHEMBL493908 CHEMBL1271052

KEGG

By LinkDB

CTD

By CAS RN C052363

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