PCIDB

KNApSAcK Metabolite C00008197

Metabolite

KNApSAcK Entry

id C00008197
Name Isobavachin
CAS RN 31524-62-6
Standard InChI InChI=1S/C20H20O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-10,19,21-22H,8,11H2,1-2H3
Standard InChI (Main Layer) InChI=1S/C20H20O4/c1-12(2)3-8-15-17(22)10-9-16-18(23)11-19(24-20(15)16)13-4-6-14(21)7-5-13/h3-7,9-10,19,21-22H,8,11H2,1-2H3

Cluster

Phytochemical cluster No. 14
KCF-S cluster No. 28

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL491534

KEGG

By LinkDB

CTD

By CAS RN C468753

Human Protein / Gene in interaction

CTD interaction (6)

compound gene gene name gene description interaction interaction type form reference
pmid
C468753 5241 PGR
NR3C3
PR
progesterone receptor fulvestrant inhibits the reaction [isobavachin results in increased expression of PGR mRNA] decreases reaction
/ increases expression
mRNA 16892383
C468753 5241 PGR
NR3C3
PR
progesterone receptor fulvestrant inhibits the reaction [isobavachin results in increased expression of PGR protein] decreases reaction
/ increases expression
protein 16892383
C468753 5241 PGR
NR3C3
PR
progesterone receptor isobavachin results in increased expression of PGR mRNA increases expression
mRNA 16892383
C468753 5241 PGR
NR3C3
PR
progesterone receptor isobavachin results in increased expression of PGR protein increases expression
protein 16892383
C468753 7031 TFF1
BCEI
D21S21
HP1.A
HPS2
pNR-2
pS2
trefoil factor 1 fulvestrant inhibits the reaction [isobavachin results in increased expression of TFF1 mRNA] decreases reaction
/ increases expression
mRNA 16892383
C468753 7031 TFF1
BCEI
D21S21
HP1.A
HPS2
pNR-2
pS2
trefoil factor 1 isobavachin results in increased expression of TFF1 mRNA increases expression
mRNA 16892383