KCF-S cluster No. 308 (22 metabolites)

Corresponding Phytochemical cluster No. 2

• Index
• Plant Species
• KEGG BRITE br08003
• Metabolite list (22)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

---

Cumulative plant class count

class name	count
asterids	74
Liliopsida	1

---

Cumulative family count

class name	count
Boraginaceae	59
Asteraceae	13
Apocynaceae	2
Amaryllidaceae	1
Xylariaceae	1

KEGG BRITE br08003

---

Categories (1)

br08003 Category	# of metabolite
Pyrrolizidine alkaloids	12

---

metabolites link (12)

br08003 Category	KEGG ID	KNApSAcK ID
Pyrrolizidine alkaloids	C10263	C00002077
Pyrrolizidine alkaloids	C10301	C00002086
Pyrrolizidine alkaloids	C10324	C00002090
Pyrrolizidine alkaloids	C10326	C00002091
Pyrrolizidine alkaloids	C10330	C00002093
Pyrrolizidine alkaloids	C10336	C00002095
Pyrrolizidine alkaloids	C10347	C00002099
Pyrrolizidine alkaloids	C10378	C00002111
Pyrrolizidine alkaloids	C10403	C00002121
Pyrrolizidine alkaloids	C10412	C00002126
Pyrrolizidine alkaloids	C16750	C00026163
Pyrrolizidine alkaloids	C16751	C00026164

Metabolite list (22)

KNApSAcK ID	name	ChEMBL link	CTD link	# of proteins in ChEMBL interaction / related OMIM / related KEGG DISEASE	# of genes in CTD interaction / related diseases	figure
C00002077	Amabiline
C00002086	Europine	CHEMBL526357 CHEMBL1964449
C00002090	Heliotrine	CHEMBL1474445 CHEMBL1978598 CHEMBL2165593	C010178	6 / 3 / 4
C00002091	Indicine	CHEMBL445876 CHEMBL471483 CHEMBL450265	C018336
C00002093	Intermedine	CHEMBL445876 CHEMBL471483 CHEMBL450265
C00002095	Isolycopsamine
C00002099	Lycopsamine	CHEMBL445876 CHEMBL471483 CHEMBL450265
C00002111	Rinderine	CHEMBL445876 CHEMBL471483 CHEMBL450265
C00002121	Supinine
C00002126	Uplandicine
C00026157	2'-Acetylheliotrine
C00026159	3'-Acetylindicine
C00026162	7-Acetylechinatine / 7-O-Acetylechinatine / Echinatine 1-acetate
C00026163	Acetylintermedine / 7-Acetylintermedine / O-Acetylintermedine / Intermedine 1-acetate
C00026164	Acetyllycopsamine / 7-Acetyllycopsamine / Lycopsamine 1-acetate
C00026189	Echinatine / (+)-Echinatine	CHEMBL445876 CHEMBL471483 CHEMBL450265
C00026197	Heleurine / (-)-Heleurine / O3-Methylsupinine
C00026203	Ilamine / (+)-Ilamine
C00037252	Heliohoustine
C00037342	Isoretrohoustine
C00037727	Retrohoustine
C00042748	Morifoline	CHEMBL445876 CHEMBL471483 CHEMBL450265

Human Protein / Gene in interactions

6 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
P10635	Cytochrome P450 2D6	Cytochrome P450 2D6	C00002090	1 / 0
Q99700	Ataxin-2	Unclassified protein	C00002090	1 / 1
P11712	Cytochrome P450 2C9	Cytochrome P450 2C9	C00002090	0 / 1
P05177	Cytochrome P450 1A2	Cytochrome P450 1A2	C00002090	0 / 0
P33261	Cytochrome P450 2C19	Cytochrome P450 2C19	C00002090	1 / 1
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00002090	0 / 1

Related Diseases

Diseases related to proteins in ChEMBL interactions