PCIDB

KNApSAcK Metabolite C00029492

Metabolite

KNApSAcK Entry

id C00029492
Name epi-Lupeol / 3-Epilupeol / (+)-epi-Lupeol
CAS RN 4439-99-0
Standard InChI InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24+,25+,27+,28-,29+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 23

Link

ChEMBL

By standard InChI CHEMBL459702
By standard InChI Main Layer CHEMBL289191 CHEMBL459702

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)
P08047 Transcription factor Sp1 Unclassified protein CHEMBL289191 CHEMBL1058704 (1)
0 / 0
P11387 DNA topoisomerase 1 Isomerase CHEMBL289191 CHEMBL951647 (1)
0 / 0
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL289191 CHEMBL951649 (2) CHEMBL938784 (1)
CHEMBL938785 (1) CHEMBL938786 (1)
CHEMBL938787 (1) CHEMBL1111927 (1)
0 / 0