PCIDB

KNApSAcK Metabolite C00027384

Metabolite

KNApSAcK Entry

id C00027384
Name Isocephaeline
CAS RN 5884-45-7
Standard InChI InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23-,24-/m0/s1
Standard InChI (Main Layer) InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3

Cluster

Phytochemical cluster No. 4
KCF-S cluster No. 510

Link

ChEMBL

By standard InChI CHEMBL486005
By standard InChI Main Layer CHEMBL255708 CHEMBL486005 CHEMBL1616444

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)
P20701 Integrin alpha-L Membrane receptor CHEMBL255708 CHEMBL982328 (1) CHEMBL982330 (1)
0 / 0
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL486005 CHEMBL999922 (1) CHEMBL999923 (1)
0 / 0
P27540 Aryl hydrocarbon receptor nuclear translocator Unclassified protein CHEMBL486005 CHEMBL999908 (1) CHEMBL999909 (1)
0 / 0