KCF-S cluster No. 23 (119 metabolites)

Corresponding Phytochemical cluster No. 51

• Index
• Plant Species
• KEGG BRITE br08003
• Metabolite list (119)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

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Cumulative plant class count

class name	count
asterids	438
rosids	321
eudicotyledons	29
Magnoliophyta	6
Liliopsida	5
Euphyllophyta	4
Embryophyta	3

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Cumulative family count (Top 20)

class name	count
Ebenaceae	246
Asteraceae	57
Fabaceae	54
Lamiaceae	34
Celastraceae	33
Apocynaceae	26
Rutaceae	25
Myrtaceae	21
Euphorbiaceae	21
Phyllanthaceae	17
Ericaceae	15
Rhamnaceae	15
Meliaceae	15
Rhizophoraceae	13
Moraceae	12
Burseraceae	10
Rubiaceae	10
Malvaceae	9
Clusiaceae	8
Lardizabalaceae	7

KEGG BRITE br08003

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Categories (3)

br08003 Category	# of metabolite
Oleananes	2
Lupanes	4
Dammarenes	6

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metabolites link (12)

br08003 Category	KEGG ID	KNApSAcK ID
Oleananes	C08615	C00003737
Oleananes	C08616	C00003738
Lupanes	C08618	C00003740
Lupanes	C08619	C00003741
Dammarenes	C08621	C00003742
Dammarenes	C08622	C00003743
Lupanes	C08628	C00003749
Lupanes	C08630	C00003750
Dammarenes	C08631	C00003751
Dammarenes	C08636	C00003757
Dammarenes	C19829	C00038920
Dammarenes	C15274	C00043263

Metabolite list (119)

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
C00003737	alpha-Amyrin / alpha-Amyrine / alpha-Amyrenol
C00003738	beta-Amyrin / beta-Amirin / beta-Amyrine / beta-Amyrenol		C036380		0 / 4
C00003740	Betulin	CHEMBL23236 CHEMBL140040 CHEMBL1610940 CHEMBL2000891 CHEMBL2069124	C002503	18 / 16 / 17	0 / 2
C00003741	Betulinic acid	CHEMBL269277 CHEMBL71690 CHEMBL519059 CHEMBL1318530 CHEMBL2005635	C002070	34 / 17 / 14	10 / 2
C00003742	Dammarenediol-I	CHEMBL478945
C00003743	Dipterocarpol / Hydroxydammarane II	CHEMBL224816 CHEMBL476490 CHEMBL1595881
C00003749	Lupeol / Lupenol / (+)-Lupenol	CHEMBL289191 CHEMBL459702	C010480	3 / 0 / 0	2 / 6
C00003750	Lupeol acetate	CHEMBL453802 CHEMBL1097034	C055329	1 / 0 / 0
C00003751	Messagenin	CHEMBL513542
C00003757	Taraxasterol	CHEMBL497525	C079988
C00019220	Lupenone	CHEMBL486393 CHEMBL575188		3 / 4 / 2
C00021221	Platanic acid	CHEMBL80460	C087107	4 / 0 / 0
C00021222	(3beta)-28-Norlup-20(29)-ene-3,17-diol	CHEMBL488988
C00021223	(3beta)-28-Norlup-20(29)-ene-3,17-diol 3-acetate
C00021224	Betunal / (+)-Betunal / Betulinaldehyde	CHEMBL512622 CHEMBL476675
C00022684	Saussurol acetate / Taraxasteryl acetate	CHEMBL1796000	C092740
C00023787	Zeorin		C048779
C00023788	Glochidone	CHEMBL469628
C00023789	Glochidonol	CHEMBL469838
C00023790	Cyathic acid
C00029445	21-ketobetulinic acid
C00029446	22beta-Hydroxystellatogenin
C00029487	3beta,6alpha-Dihydroxylup-20(29)-ene	CHEMBL525545
C00029492	epi-Lupeol / 3-Epilupeol / (+)-epi-Lupeol	CHEMBL289191 CHEMBL459702		3 / 0 / 0
C00029677	Alphitolic acid	CHEMBL511805		1 / 0 / 0
C00029785	Bacosine
C00029824	Lup-20(29)-en-28-oic acid / Betulinic acid methyl ester	CHEMBL295602 CHEMBL1999996		2 / 0 / 0
C00029915	Ceanothic acid	CHEMBL491069 CHEMBL1644817	C107972	1 / 0 / 0
C00030156	Dryopteric acid A / (+)-4-epi-Dryopteric B
C00030157	Dryopteric acid B
C00030290	Foliasalacin A1 / (+)-Foliasalacin A1
C00030291	Foliasalacin A2 / (+)-Foliasalacin A2
C00030292	Foliasalacin A3 / (+)-Foliasalacin A3
C00030293	Foliasalacin A4 / (+)-Foliasalacin A4
C00030294	Foliasalacin B1 / (+)-Foliasalacin B1
C00030295	Foliasalacin B2 / (+)-Foliasalacin B2
C00030296	Foliasalacin B3 / (-)-Foliasalacin B3
C00030501	Hyperinol A / 22-Deoxyhyperinol B
C00030502	Hyperinol B / 22-Hydroxyhyperinol A
C00030655	Leucastrin A / (+)-Leucastrin A
C00030656	Leucastrin B / (+)-Leucastrin B
C00030701	Machaeroceric acid
C00031104	psi-Taraxasteryl acetate	CHEMBL500389	C079987
C00031559	Acantrifoic acid A / (-)-Acantrifoic acid A
C00032118	Punicanolic acid / (-)-Punicanolic acid	CHEMBL524527
C00032200	Stellatogenin	CHEMBL2144823		2 / 4 / 2
C00032354	Thurberogenin
C00032421	Trilocularol A / (+)-Trilocularol A
C00032552	Colubrinic acid / Zizyberanalic acid	CHEMBL470503 CHEMBL1503007 CHEMBL1782597		13 / 10 / 9
C00032910	Diospyrolide / (+)-Diospyrolide
C00032984	Fouquierone / (+)-Fouquierone	CHEMBL224814
C00033061	Isofouquierone peroxide / (+)-Isofouquierone peroxide
C00033122	Loranthol
C00034033	Lup-20(29)-ene-3beta,16beta-diol / (+)-Lup-20(29)-ene-3beta,16beta-diol	CHEMBL462795 CHEMBL1992055
C00034197	Resinone		C469684
C00034251	Silvaglin A / (+)-Silvaglin A
C00034301	Taraxast-20-ene-3beta,30-diol / (+)-Taraxast-20(30)-ene-3.beta.,12.beta.-diol
C00034388	3beta,16beta-Diacetoxybetulinic acid
C00034389	3beta-Acetoxy-16beta-hydroxybetulinic acid
C00034390	3-epi-Betulinic acid	CHEMBL269277 CHEMBL71690 CHEMBL519059 CHEMBL1318530 CHEMBL2005635		34 / 17 / 14
C00034858	Helicteric acid
C00034871	Lup-20(29)-ene-3beta,30-diol / (-)-Lup-20(29)-ene-3beta,30-diol	CHEMBL518390
C00035185	(20S)-3beta-Acetoxy-20-hydroperoxy-30-norlupane
C00035186	(20S)-3beta-Acetoxylupan-29-oic acid
C00035215	Anemosapogenin / 23-Hydroxybetulinic acid / 3beta,23-Dihydroxylup-20(29)-en-28-oic acid	CHEMBL251308
C00035242	Acetylbetulinic acid / (+)-Acetylbetulinic acid	CHEMBL312687 CHEMBL182981		2 / 0 / 0
C00035253	Betulonic acid / (+)-Betulonic acid	CHEMBL431525 CHEMBL1329485		8 / 15 / 11
C00035375	Pseudotaraxasterol
C00035460	12-Hydroxyoleanolic lactone	CHEMBL55239 CHEMBL498230		1 / 0 / 0
C00035551	Cabraleone	CHEMBL224139 CHEMBL224481
C00036536	3alpha-Hydroxyeuph-25-ene
C00037295	Ilelatifol D
C00037440	Lup-20(29)-ene-1beta,3beta-diol	CHEMBL470447 CHEMBL513037
C00037978	Ursolic acid lactone	CHEMBL1590724		2 / 4 / 4
C00038255	3-Epiocotillol / 3-epi-Ocotillol	CHEMBL375698 CHEMBL523757
C00038302	6beta-Hydroxytaraxasta-20-en-3-one
C00038392	Aglinin C / (+)-Aglinin C
C00038393	Aglinin D / (+)-Aglinin D
C00038674	Cabraleadiol 3-acetate	CHEMBL224087
C00038761	Cichoridiol / (+)-Cichoridiol	CHEMBL466142
C00038920	Dammarenediol II	CHEMBL478945	C106188
C00039385	Hopenol B	CHEMBL254343
C00040750	(18S)-Pyrrosialactol / (+)-(18S)-Pyrrosialactol
C00040814	3alpha,20-Dihydroxy-3beta,25-epoxylupane / (+)-3alpha,20-Dihydroxy-3beta,25-epoxylupane
C00040816	3-Deoxyocotillol
C00040910	Carnaubadiol
C00040915	Ceanothetric acid
C00041046	Lup-20(29)-ene-3beta,27-diol
C00041129	Swinniol
C00041257	20beta,28-Epoxytaraxaster-21-en-3beta-ol / (+)-20beta,28-Epoxytaraxaster-21-en-3beta-ol	CHEMBL500910
C00041266	30-Hydroxylup-20(29)-en-3-one / (+)-30-Hydroxylup-20(29)-en-3-one	CHEMBL481051
C00041268	3alpha,20-Lupandiol / (-)-3alpha,20-Lupandiol	CHEMBL481837 CHEMBL2004530
C00042003	Ocotillol / (20S,24R)-Epoxydammarane-3beta,25-diol	CHEMBL375698 CHEMBL523757
C00042114	3alpha-Acetoxy-27-hydroxylup-20(29)-en-24-oic acid / (+)-3alpha-Acetoxy-27-hydroxylup-20(29)-en-24-oic acid	CHEMBL499293		1 / 0 / 0
C00042123	3-epi-Betulin / (+)-3-epi-Betulin	CHEMBL23236 CHEMBL140040 CHEMBL1610940 CHEMBL2000891 CHEMBL2069124		18 / 16 / 17
C00042124	3-epi-Betulinic aldehyde	CHEMBL512622 CHEMBL476675
C00042283	Betulone / (+)-Betulone	CHEMBL469284
C00042361	Cereotagalol A / (+)-Cereotagalol A
C00042362	Cereotagalol B / (+)-Cereotagalol B
C00042363	Cereotagaloperoxide
C00042449	Dammaradienol / (+)-Dammaradienol	CHEMBL516097
C00042517	Fouquierol
C00042563	Glochidiol	CHEMBL470447 CHEMBL513037
C00042631	Isofouquierol
C00042730	Messagenic acid F	CHEMBL1078221		2 / 0 / 0
C00042731	Messagenic acid G
C00042765	Nepeticin
C00042799	Ocotillol II	CHEMBL375698 CHEMBL523757
C00042919	Rigidenol	CHEMBL513025
C00043263	Allobetulin	CHEMBL496855
C00043696	Maytefolin A / (+)-Maytefolin A	CHEMBL463910
C00043799	Oxyallobetulin / (+)-Oxyallobetulin	CHEMBL427846 CHEMBL522595
C00045580	6beta-Hydroxyhovenic acid	CHEMBL472852
C00046647	Camaldulin	CHEMBL485988
C00047146	3-O-Acetyl-epi-betulinic acid	CHEMBL312687 CHEMBL182981		2 / 0 / 0
C00049211	Lup-20(29)-ene-2alpha,3beta-diol	CHEMBL1773216
C00049603	20-Taraxastene-3alpha,28-diol / (+)-20-Taraxastene-3alpha,28-diol
C00049605	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
C00049905	Garcinielliptone / (+)-Garcinielliptone

Human Protein / Gene in interactions

52 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
P11388	DNA topoisomerase 2-alpha	Isomerase	C00003740 C00003741 C00003749 C00003750 C00029492 C00034390 C00035253 C00042123 C00042730	0 / 0
P11387	DNA topoisomerase 1	Isomerase	C00003740 C00003741 C00003749 C00029492 C00034390 C00035253 C00042123 C00042730	0 / 0
Q96RI1	Bile acid receptor	NR1H4	C00003740 C00003741 C00019220 C00021221 C00029824 C00034390 C00035253 C00042123	0 / 0
Q8TDU6	G-protein coupled bile acid receptor 1	Steroid-like ligand receptor	C00003740 C00003741 C00019220 C00021221 C00029824 C00034390 C00035253 C00042123	0 / 0
P05771	Protein kinase C beta type	Alpha	C00003740 C00003741 C00021221 C00034390 C00035242 C00042123 C00047146	0 / 0
Q02156	Protein kinase C epsilon type	Eta	C00003740 C00003741 C00021221 C00034390 C00035242 C00042123 C00047146	0 / 0
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00003740 C00003741 C00034390 C00037978 C00042123	0 / 1
P02545	Prelamin-A/C	Unclassified protein	C00003740 C00003741 C00034390 C00035253 C00042123	11 / 10
P08151	Zinc finger protein GLI1	Unclassified protein	C00003741 C00029677 C00029915 C00032552 C00034390	0 / 0
O75496	Geminin	Unclassified protein	C00003741 C00032200 C00032552 C00034390 C00035253	0 / 0
P33261	Cytochrome P450 2C19	Cytochrome P450 2C19	C00003740 C00003741 C00034390 C00042123	1 / 1
O75604	Ubiquitin carboxyl-terminal hydrolase 2	Enzyme	C00003740 C00003741 C00034390 C00042123	0 / 0
P10635	Cytochrome P450 2D6	Cytochrome P450 2D6	C00003740 C00003741 C00034390 C00042123	1 / 0
Q16665	Hypoxia-inducible factor 1-alpha	Transcription Factor	C00003740 C00003741 C00034390 C00042123	0 / 0
P11712	Cytochrome P450 2C9	Cytochrome P450 2C9	C00003740 C00003741 C00034390 C00042123	0 / 1
P05177	Cytochrome P450 1A2	Cytochrome P450 1A2	C00003740 C00003741 C00034390 C00042123	0 / 0
Q9Y253	DNA polymerase eta	Enzyme	C00003741 C00032552 C00034390	1 / 1
Q8IUX4	DNA dC->dU-editing enzyme APOBEC-3F	Enzyme	C00003741 C00032552 C00034390	0 / 0
P18031	Tyrosine-protein phosphatase non-receptor type 1	Tyr	C00003740 C00035460 C00042123	0 / 0
P43220	Glucagon-like peptide 1 receptor	Glucagon-like peptide receptor	C00003741 C00032552 C00034390	0 / 0
P15559	NAD(P)H dehydrogenase [quinone] 1	Enzyme	C00003741 C00034390	0 / 0
P10828	Thyroid hormone receptor beta	NR1A2	C00003740 C00042123	3 / 1
Q9UBT2	SUMO-activating enzyme subunit 2	Enzyme	C00003741 C00034390	0 / 0
O75874	Isocitrate dehydrogenase [NADP] cytoplasmic	Enzyme	C00003741 C00034390	1 / 0
P15121	Aldose reductase	Enzyme	C00003741 C00034390	0 / 0
P49841	Glycogen synthase kinase-3 beta	Gsk	C00003741 C00034390	0 / 0
P08047	Transcription factor Sp1	Unclassified protein	C00003749 C00029492	0 / 0
Q04206	Transcription factor p65	Transcription Factor	C00003741 C00034390	0 / 0
Q9UBT6	DNA polymerase kappa	Enzyme	C00003741 C00034390	0 / 0
Q9HC16	DNA dC->dU-editing enzyme APOBEC-3G	Enzyme	C00003741 C00034390	0 / 0
O94782	Ubiquitin carboxyl-terminal hydrolase 1	Enzyme	C00003740 C00042123	0 / 0
P10636	Microtubule-associated protein tau	Unclassified protein	C00032552 C00037978	4 / 3
P06746	DNA polymerase beta	Enzyme	C00003741 C00034390	0 / 0
Q13133	Oxysterols receptor LXR-alpha	NR1H3	C00003741 C00034390	0 / 0
P35354	Prostaglandin G/H synthase 2	Oxidoreductase	C00003740 C00042123	0 / 3
P55055	Oxysterols receptor LXR-beta	NR1H3	C00003741 C00034390	0 / 0
P49798	Regulator of G-protein signaling 4	Unclassified protein	C00003741 C00034390	2 / 0
P19838	Nuclear factor NF-kappa-B p105 subunit	Transcription Factor	C00003741 C00034390	0 / 0
O60218	Aldo-keto reductase family 1 member B10	Enzyme	C00003741 C00034390	0 / 0
Q9UBE0	SUMO-activating enzyme subunit 1	Unclassified protein	C00003741 C00034390	0 / 0
Q99700	Ataxin-2	Unclassified protein	C00032552	1 / 1
Q9UNA4	DNA polymerase iota	Enzyme	C00035253	0 / 0
Q6W5P4	Neuropeptide S receptor	Neuropeptide receptor	C00032552	1 / 0
P27695	DNA-(apurinic or apyrimidinic site) lyase	Enzyme	C00032552	0 / 0
P14679	Tyrosinase	Oxidoreductase	C00019220	4 / 2
Q16236	Nuclear factor erythroid 2-related factor 2	Unclassified protein	C00032552	0 / 0
P48147	Prolyl endopeptidase	S9A	C00042114	0 / 0
Q13315	Serine-protein kinase ATM	Atypical serine/threonine protein kinase PIKK subfamily	C00032552	1 / 4
P37840	Alpha-synuclein	Unclassified protein	C00032200	4 / 2
Q16637	Survival motor neuron protein	Unclassified protein	C00035253	4 / 1
P84022	Mothers against decapentaplegic homolog 3	Unclassified protein	C00032552	2 / 0
Q96QE3	ATPase family AAA domain-containing protein 5	Unclassified protein	C00032552	0 / 0

12 Gene in CTD interactions

gene	gene name	gene description	KNApSAcK metabolite in interactions
207	AKT1, AKT, CWS6, PKB, PKB-ALPHA, PRKBA, RAC, RAC-ALPHA	v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1)	C00003741
581	BAX, BCL2L4	BCL2-associated X protein	C00003741
332	BIRC5, API4, EPR-1	baculoviral IAP repeat containing 5	C00003741
836	CASP3, CPP32, CPP32B, SCA-1	caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56)	C00003741
840	CASP7, CASP-7, CMH-1, ICE-LAP3, LICE2, MCH3	caspase 7, apoptosis-related cysteine peptidase (EC:3.4.22.60)	C00003741
1956	EGFR, ERBB, ERBB1, HER1, PIG61, mENA	epidermal growth factor receptor (EC:2.7.10.1)	C00003741
5594	MAPK1, ERK, ERK2, ERT1, MAPK2, P42MAPK, PRKM1, PRKM2, p38, p40, p41, p41mapk	mitogen-activated protein kinase 1 (EC:2.7.11.24)	C00003741
5595	MAPK3, ERK-1, ERK1, ERT2, HS44KDAP, HUMKER1A, P44ERK1, P44MAPK, PRKM3, p44-ERK1, p44-MAPK	mitogen-activated protein kinase 3 (EC:2.7.11.24)	C00003741
7150	TOP1, TOPI	topoisomerase (DNA) I (EC:5.99.1.2)	C00003741
7153	TOP2A, TOP2, TP2A	topoisomerase (DNA) II alpha 170kDa (EC:5.99.1.3)	C00003741
1499	CTNNB1, CTNNB, MRD19, armadillo	catenin (cadherin-associated protein), beta 1, 88kDa	C00003749
5728	PTEN, 10q23del, BZS, CWS1, DEC, GLM2, MHAM, MMAC1, PTEN1, TEP1	phosphatase and tensin homolog (EC:3.1.3.67 3.1.3.16 3.1.3.48)	C00003749

Related Diseases

Diseases related to proteins in ChEMBL interactions

Diseases related to CTD interactions