PCIDB

KNApSAcK Metabolite C00033686

Metabolite

KNApSAcK Entry

id C00033686
Name Calceolarioside B
CAS RN 105471-98-5
Standard InChI InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1
Standard InChI (Main Layer) InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2

Cluster

Phytochemical cluster
KCF-S cluster No. 382

Link

ChEMBL

By standard InChI CHEMBL518414
By standard InChI Main Layer CHEMBL518414

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

3 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL518414 CHEMBL1693776 (1)
0 / 3
P17252 Protein kinase C alpha type Alpha CHEMBL518414 CHEMBL997396 (1)
0 / 0
P11511 Cytochrome P450 19A1 Cytochrome P450 19A1 CHEMBL518414 CHEMBL1693773 (1)
2 / 2

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#613546 Aromatase deficiency P11511
#139300 Aromatase excess syndrome; aexs P11511

KEGG DISEASE (5)

KEGG disease name UniProt
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P11511 (related)
H00794 Aromatase excess syndrome P11511 (related)
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)