PCIDB

KNApSAcK Metabolite C00003580

Metabolite

KNApSAcK Entry

id C00003580
Name Hecogenin
CAS RN 467-55-0
Standard InChI InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
Standard InChI (Main Layer) InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 1222

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1401685 CHEMBL1605286

KEGG

By LinkDB C08902

CTD

By CAS RN C007908

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 CHEMBL1401685 CHEMBL1741321 (1)
1 / 0
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1401685 CHEMBL1614331 (1)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL1401685 CHEMBL1614544 (1)
11 / 10
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL1401685 CHEMBL1613776 (1)
3 / 1
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1401685 CHEMBL1741325 (1)
0 / 1
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1401685 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1401685 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1401685 CHEMBL1741324 (1)
0 / 1

CTD interaction (1)

compound gene gene name gene description interaction interaction type form reference
pmid
C007908 54657 UGT1A4
HUG-BR2
UDPGT
UDPGT_1-4
UGT-1D
UGT1-04
UGT1.4
UGT1D
UDP glucuronosyltransferase 1 family, polypeptide A4 (EC:2.4.1.17) [hecogenin results in decreased activity of UGT1A4 protein] which results in decreased glycosylation of senecionine decreases activity
/ decreases glycosylation
protein 20092275

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (16)

OMIM preferred title UniProt
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#275210 Restrictive dermopathy, lethal P02545
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828

KEGG DISEASE (14)

KEGG disease name UniProt
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00036 Osteosarcoma P08684 (marker)
H00249 Thyroid hormone resistance syndrome P10828 (related)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)