phytochemical cluster No. 43 (79 metabolites)

• Index
• Plant Species
• KEGG BRITE br08003
• KCF-S cluster (11)
• Metabolite list (79)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

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Cumulative plant class count

class name	count
asterids	59
rosids	19
eudicotyledons	9
Embryophyta	2

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Cumulative family count

class name	count
Lamiaceae	56
Euphorbiaceae	16
Menispermaceae	9
Peraceae	3
Asteraceae	3
Jungermanniaceae	2
Tenthredinidae	1

KEGG BRITE br08003

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Categories (1)

br08003 Category	# of metabolite
Clerodanes	13

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metabolites link (13)

br08003 Category	KEGG ID	KNApSAcK ID
Clerodanes	C09058	C00003400
Clerodanes	C09067	C00003408
Clerodanes	C09070	C00003411
Clerodanes	C09071	C00003412
Clerodanes	C09073	C00003413
Clerodanes	C09074	C00003414
Clerodanes	C09075	C00003415
Clerodanes	C09077	C00003417
Clerodanes	C09136	C00003456
Clerodanes	C09151	C00003463
Clerodanes	C09166	C00003471
Clerodanes	C09168	C00003472
Clerodanes	C20196	C00034669

KCF-S cluster (11)

KCF-S ID	# of metabolite
No. 172	31
No. 825	11
No. 1360	7
No. 1330	7
No. 1310	7
No. 2331	5
No. 2453	4
No. 4174	3
No. 4563	2
No. 7139	1
No. 2611	1

Metabolite list (79)

KNApSAcK ID	name	ChEMBL link	CTD link	# of proteins in ChEMBL interaction / related OMIM / related KEGG DISEASE	# of genes in CTD interaction / related diseases	KCF-S cluster	figure
C00050231	Plaunol D					No. 172
C00050228	Montanin A					No. 172
C00003411	Scutelaterin B					No. 172
C00042044	Ajugalide A					No. 172
C00041121	Jamesoniellide G					No. 172
C00050227	Difuranofruticol					No. 172
C00003415	Hativene C / (-)-Hativene C					No. 172
C00050226	Salvinorin B / (-)-Salvinorin B	CHEMBL178129 CHEMBL194982 CHEMBL212385 CHEMBL424698 CHEMBL1941032		3 / 0 / 0		No. 172
C00050225	Salvinorin A	CHEMBL178960 CHEMBL445332 CHEMBL435108 CHEMBL193735 CHEMBL378767 CHEMBL458235	C090499	9 / 4 / 8	0 / 3	No. 172
C00040877	Polystachyne D / (-)-Polystachyne D					No. 172
C00040876	Spiciflorin / (-)-Spiciflorin					No. 172
C00050224	Baenzigeride B					No. 172
C00040866	Fibrauretin A / (+)-Fibrauretin A	CHEMBL398472		1 / 0 / 1		No. 172
C00040865	Palmarin	CHEMBL458613	C062507			No. 172
C00040864	Chasmanthin	CHEMBL458613				No. 172
C00039668	Cascarillin B / (-)-Cascarillin B					No. 172
C00030562	Caryoptin					No. 172
C00050223	Clerodendrin A					No. 172
C00049102	8-Epirhynchosperin A / (-)-8-Epirhynchosperin A	CHEMBL1086147		1 / 0 / 0		No. 172
C00049069	Columbin	CHEMBL1417543	C062514	3 / 5 / 4		No. 172
C00046921	Blepharolide A / (-)-Blepharolide A					No. 172
C00046920	Callicarpone					No. 172
C00039341	Cascarillin C / (-)-Cascarillin C					No. 172
C00039340	Cascarillin H / (-)-Cascarillin H	CHEMBL2005858				No. 172
C00039339	Cascarillin F / (+)-Cascarillin F					No. 172
C00042989	Ajugalide B	CHEMBL1813873				No. 172
C00044308	Ajugamacrin B					No. 172
C00035204	Polystachyne E					No. 172
C00035203	12-epi-Bacchotricuneatin A	CHEMBL483001				No. 172
C00044309	Ajugamarin C1					No. 172
C00044310	Ajugalide C	CHEMBL1813870				No. 172
C00023366	14,15-Dihydro-15beta-methoxy-3-epicaryoptin					No. 825
C00045192	Ajugarin I	CHEMBL494606	C092328			No. 825
C00023365	Scutalpin M					No. 825
C00036018	Teuscordinon					No. 825
C00036406	6beta-Hydroxyteuscordin / (-)-6beta-Hydroxyteuscordin					No. 825
C00045415	Jatrowedione / (+)-Jatrowedione					No. 825
C00032751	Scupontin D / (-)-Scupontin D					No. 825
C00023367	Scutelaterin A / (+)-Scutelaterin A					No. 825
C00022532	14,15-Dihydro-15-hydroxy-3-epicaryoptin					No. 825
C00037674	Clutiolide					No. 825
C00003471	Scutelaterin C					No. 825
C00045254	2-Hydroxyisojatrogrossidion					No. 1310
C00036883	Dihydroclutiolide					No. 1310
C00036882	Baenzigeride A / (+)-Baenzigeride A					No. 1310
C00036881	Plaunol B					No. 1310
C00045253	2-Epihydroxyisojatrogrossidion					No. 1310
C00003412	Areptin B					No. 1310
C00045256	Japodagrin / (-)-Japodagrin					No. 1310
C00039481	Cascarillin D / (-)-Cascarillin D					No. 1330
C00039475	Cascarillin					No. 1330
C00039211	Cascarillin E / (+)-Cascarillin E					No. 1330
C00037673	Isodihydroclutiolide	CHEMBL1980370				No. 1330
C00003463	Ajugareptansin / (-)-Ajugareptansin					No. 1330
C00003413	Ajugorientin					No. 1330
C00034895	Scupolin J / (+)-Scupolin J					No. 1330
C00031583	Scupontin A / (-)-Scupontin A					No. 1360
C00003400	14,15-Dehydroajugareptansin					No. 1360
C00031581	Clerodin					No. 1360
C00031582	Jodrellin T					No. 1360
C00031588	Scupontin E / (-)-Scupontin E					No. 1360
C00031587	Scupontin B / (-)-Scupontin B					No. 1360
C00031586	Scupontin C / (-)-Scupontin C					No. 1360
C00034382	Ajugapyrin A / (-)-Ajugapyrin A					No. 2331
C00034381	11-Episcutecyprin / (+)-11-Episcutecyprin					No. 2331
C00003408	Ajugachin A					No. 2331
C00034560	Scutegalin D					No. 2331
C00044207	Ajugapantin A	CHEMBL522544				No. 2331
C00003417	Hativene A / (-)-Hativene A					No. 2453
C00047368	Salvisplendin A / (-)-Salvisplendin A					No. 2453
C00041828	Jamesoniellide A					No. 2453
C00038609	Secochiliolide lactone					No. 2453
C00003414	Hativene B / (-)-Hativene B					No. 2611
C00032752	Scupontin F / (-)-Scupontin F					No. 4174
C00034670	Scutalsin					No. 4174
C00034669	Scutalpin O					No. 4174
C00003456	Lupulin A					No. 4563
C00035294	6-Ketoteuscordin					No. 4563
C00003472	Areptin A					No. 7139

Human Protein / Gene in interactions

13 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
P41145	Kappa-type opioid receptor	Opioid receptor	C00034669 C00034670	0 / 0
Q9NUW8	Tyrosyl-DNA phosphodiesterase 1	Enzyme	C00003417 C00034669	1 / 1
P35372	Mu-type opioid receptor	Opioid receptor	C00034669 C00034670	0 / 0
P41143	Delta-type opioid receptor	Opioid receptor	C00034669 C00034670	0 / 0
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00039211	0 / 1
P18031	Tyrosine-protein phosphatase non-receptor type 1	Tyr	C00047368	0 / 0
Q92830	Histone acetyltransferase KAT2A	Enzyme	C00034669	0 / 0
P27695	DNA-(apurinic or apyrimidinic site) lyase	Enzyme	C00003417	0 / 0
P10636	Microtubule-associated protein tau	Unclassified protein	C00003417	4 / 3
Q96KQ7	Histone-lysine N-methyltransferase EHMT2	Enzyme	C00034669	0 / 0
P11473	Vitamin D3 receptor	NR1I1	C00034669	2 / 3
Q13951	Core-binding factor subunit beta	Unclassified protein	C00034669	0 / 1
Q01196	Runt-related transcription factor 1	Unclassified protein	C00034669	1 / 4

Related Diseases

Diseases related to proteins in ChEMBL interactions

Diseases related to CTD interactions