PCIDB

KNApSAcK Metabolite C00036691

Metabolite

KNApSAcK Entry

id C00036691
Name Aglafoline / (-)-Aglafoline
CAS RN 143901-35-3
Standard InChI InChI=1S/C28H28O8/c1-32-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(30)35-4)25(29)27(28,31)24-20(34-3)14-19(33-2)15-21(24)36-28/h5-15,22-23,25,29,31H,1-4H3/t22-,23-,25-,27+,28+/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H28O8/c1-32-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(30)35-4)25(29)27(28,31)24-20(34-3)14-19(33-2)15-21(24)36-28/h5-15,22-23,25,29,31H,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 449

Link

ChEMBL

By standard InChI CHEMBL394528
By standard InChI Main Layer CHEMBL394528 CHEMBL583849 CHEMBL1475040

KEGG

By LinkDB

CTD

By CAS RN C077355

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Meliaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aglaia basiphylla 306494 Meliaceae rosids Viridiplantae
Aglaia gracilis 201006 Meliaceae rosids Viridiplantae

Human Protein / Gene in interaction

8 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1475040 CHEMBL1741321 (1)
1 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1475040 CHEMBL1741325 (1)
0 / 1
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL1475040 CHEMBL1614456 (1) CHEMBL1613803 (1)
0 / 0
Q04206 Transcription factor p65 Transcription Factor CHEMBL394528 CHEMBL2341058 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1475040 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1475040 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1475040 CHEMBL1614108 (1) CHEMBL1613886 (1)
CHEMBL1741324 (1)
0 / 1
P60842 Eukaryotic initiation factor 4A-I Enzyme CHEMBL394528 CHEMBL2176056 (1) CHEMBL2176057 (1)
CHEMBL2176058 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (2)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635

KEGG DISEASE (3)

KEGG disease name UniProt
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)