PCIDB

KNApSAcK Metabolite C00003719

Metabolite

KNApSAcK Entry

id C00003719
Name Limonin
CAS RN 1180-71-8
Standard InChI InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
Standard InChI (Main Layer) InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 204

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1523286 CHEMBL1886762 CHEMBL1897224 CHEMBL2004366

KEGG

By LinkDB C03514

CTD

By CAS RN C001546

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1523286 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL1523286 CHEMBL1613829 (1)
0 / 0

CTD interaction (1)

compound gene gene name gene description interaction interaction type form reference
pmid
C001546 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) limonin results in decreased activity of CYP3A4 protein decreases activity
protein 22001672

Related Disease

Diseases related to proteins in ChEMBL interactions

KEGG DISEASE (1)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D001862 C001546 Bone Resorption therapeutic
9881647