TCM-ID Component

Description of the Component

Component ID	TCMH1516
Latin Name	Cocculus trilobus
English Name	Japanese snailseed
Chinese Pinyin Name	Mu Fang Ji
中文名	木防己
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAG889-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx2669	Fourstaman Stephania Decoction	木防己汤
TCMFx4862	Luo Fu Shan Bai Cao You	罗浮山百草油
TCMFx7314	Mu Fang Ji Decoction	木防己汤

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT18	GAA	Lysosomal alpha-glucosidase	Hydrolase	P10253
TCMT559	ADRB2	Beta-2 adrenergic receptor	GPCR	P07550
TCMT599	UBE2N	Ubiquitin-conjugating enzyme E2 N	Transferase	P61088

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1218	Staphylococcus aureus
TCMT1412	Salmonella typhimurium
TCMT1438	Plasmodium falciparum
TCMT1454	Bacillus subtilis
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC2630
Formula: C25H39ClO4

Common Name	Dehydroxychlorofusarielin B
IUPAC Name	(2S,3S,4E,6E)-7-[(1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-5-chloro-6-hydroxy-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-yl]-2,4-dimethylhepta-4,6-diene-1,3-diol
Canonical SMILES	OC[C@@H]([C@@H](/C(=C/C=C/[C@H]1[C@@H]2C[C@@H](Cl)[C@](C[C@H]2[C@H]2[C@]([C@H]1/C(=C/C)/C)(C)O2)(C)O)/C)O)C
Standard InCHI	InChI=1S/C25H39ClO4/c1-7-14(2)21-17(10-8-9-15(3)22(28)16(4)13-27)18-11-20(26)24(5,29)12-19(18)23-25(21,6)30-23/h7-10,16-23,27-29H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1
Standard InCHIKey	NUVPMECBNLBBBB-RGIDNKBKSA-N
External Identifiers	ChEMBL [CHEMBL426203]; PubChem [16756890];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1516	Cocculus trilobus	Mu Fang Ji	木防己

Ingredient ID: TCMC2521
Formula: C27H40O4

Common Name	Sargachromano D
IUPAC Name	(4R,5S,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-triene-4,5-diol
Canonical SMILES	C/C(=CCC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/CC/C=C(/[C@@H]([C@@H](C=C(C)C)O)O)C
Standard InCHI	InChI=1S/C27H40O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10-11,15-17,24-25,28-30H,7-9,12-14H2,1-6H3/b19-10+,20-11+/t24-,25+,27-/m1/s1
Standard InCHIKey	YIWOAJFKIIOXPS-RYZLOPLISA-N
External Identifiers	ChEMBL [CHEMBL465202]; PubChem [11247397];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1516	Cocculus trilobus	Mu Fang Ji	木防己

Ingredient ID: TCMC2504
Formula: C25H40O5

Common Name	Fusarielin B
IUPAC Name	(1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-3-[(1E,3E,5S,6S)-5,7-dihydroxy-4,6-dimethylhepta-1,3-dienyl]-1a,6-dimethyl-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxirene-5,6-diol
Canonical SMILES	OC[C@@H]([C@@H](/C(=C/C=C/[C@H]1[C@@H]2C[C@@H](O)[C@](C[C@H]2[C@H]2[C@]([C@H]1/C(=C/C)/C)(C)O2)(C)O)/C)O)C
Standard InCHI	InChI=1S/C25H40O5/c1-7-14(2)21-17(10-8-9-15(3)22(28)16(4)13-26)18-11-20(27)24(5,29)12-19(18)23-25(21,6)30-23/h7-10,16-23,26-29H,11-13H2,1-6H3/b10-8+,14-7+,15-9+/t16-,17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1
Standard InCHIKey	NJULGUREPHOGBR-RGIDNKBKSA-N
External Identifiers	ChEMBL [CHEMBL228495]; PubChem [10432292];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1516	Cocculus trilobus	Mu Fang Ji	木防己

Ingredient ID: TCMC2383
Formula: C20H23NO4

Common Name	Magnoflorine
IUPAC Name	(6aS)-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-1,11-diol
Canonical SMILES	COc1ccc2c(c1O)c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3
Standard InCHI	InChI=1S/C20H23NO4/c1-21(2)8-7-12-10-15(25-4)20(23)18-16(12)13(21)9-11-5-6-14(24-3)19(22)17(11)18/h5-6,10,13H,7-9H2,1-4H3,(H-,22,23)/p+1/t13-/m0/s1
Standard InCHIKey	YLRXAIKMLINXQY-ZDUSSCGKSA-O
External Identifiers	ChEMBL [CHEMBL235428]; PubChem [73337];
Reference of Component-Ingredient Pair	24709313

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1416	Thalictrum foliolosum	Ma Wei Lian	马尾连
TCMH799	Sinomenium acutum	Han Fang Ji	汉防己
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH1693	Aristolochia debilis	Qing Mu Xiang	青木香
TCMH1765	Cortex berberidis	San Ke Zhen Pi	三棵针皮
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	盐关黄柏
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH555	Potentilla discolor	Fan Bai Cao	翻白草
TCMH1680	Sinomenium acutum	Qing Feng Teng	青风藤
TCMH565	Stephania tetrandra	Fang Ji	防己
TCMH1102	Tinospora capillipes	Jin Guo Lan	金果榄
TCMH2376	Corydalis yanhusuo	Yan Hu Suo	延胡索
TCMH1516	Cocculus trilobus	Mu Fang Ji	木防己
TCMH140	Menispermum dauricum	Bei Dou Gen	北豆根
TCMH718	Aristolochia manshuriensis	Guan Mu Tong	关木通
TCMH727	Aristolochia fangchi	Guang Fang Ji	广防己
TCMH1764	Cortex berberidis	San Ke Zhen	三棵针
TCMH717	Phellodendron amurense	Guan Huang Bai	关黄柏
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH950	Phellodendron amurense	Huang Bai Fen	黄柏粉
TCMH951	Phellodendron amurense	Huang Bai Tan	黄柏炭
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连

Ingredient ID: TCMC1669
Formula: C36H36N2O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1N(C)CCc3c1c1Oc4c5[C@H](C2)N(C)CCc5ccc4Oc1c(c3)OC
Standard InCHI	InChI=1S/C36H36N2O5/c1-37-15-13-23-8-12-29-34-32(23)27(37)18-22-7-11-28(39-3)30(19-22)41-25-9-5-21(6-10-25)17-26-33-24(14-16-38(26)2)20-31(40-4)35(42-29)36(33)43-34/h5-12,19-20,26-27H,13-18H2,1-4H3/t26-,27-/m0/s1
Standard InCHIKey	IGGMWDYWFSLMOW-SVBPBHIXSA-N
External Identifiers	ChEMBL [CHEMBL503363]; PubChem [44143978];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1516	Cocculus trilobus	Mu Fang Ji	木防己
TCMH2745	Stephania hernandifolia	Zuan Di Feng	钻地风
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH628	Glycyrrhiza uralensis	Gan Cao	甘草
TCMH629	Glycyrrhiza uralensis	Gan Cao Fen	甘草粉
TCMH630	Glycyrrhiza uralensis	Gan Cao Gan Gao	甘草干膏
TCMH631	Glycyrrhiza uralensis	Gan Cao Gan Gao Fen	甘草干膏粉
TCMH632	Glycyrrhiza uralensis	Gan Cao Gan Jin Gao	甘草干浸膏
TCMH633	Glycyrrhiza uralensis	Gan Cao Gao	甘草膏
TCMH634	Glycyrrhiza uralensis	Gan Cao Jie	甘草节
TCMH635	Glycyrrhiza uralensis	Gan Cao Jin Gao	甘草浸膏
TCMH636	Glycyrrhiza uralensis	Gan Cao Liu Jin Gao	甘草流浸膏
TCMH1475	Glycyrrhiza uralensis	Mi Gan Cao	蜜甘草
TCMH1899	Glycyrrhiza uralensis	Sheng Gan Cao	生甘草

Ingredient ID: TCMC1171
Formula: C37H40N2O6

Common Name	Fangchinoline
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CCN([C@@H]3c2c(c1O)Oc1cc2c(cc1OC)CCN([C@H]2Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C)C
Standard InCHI	InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
Standard InCHIKey	IIQSJHUEZBTSAT-VMPREFPWSA-N
External Identifiers	ChEMBL [CHEMBL504256]; PubChem [73481];
Reference of Component-Ingredient Pair	26408176

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1326	Physeter catodon	Long Xian Xiang	龙涎香
TCMH1680	Sinomenium acutum	Qing Feng Teng	青风藤
TCMH565	Stephania tetrandra	Fang Ji	防己
TCMH1516	Cocculus trilobus	Mu Fang Ji	木防己

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC1171	C37H40N2O6	Fangchinoline	608.29	-0.1345	4.65	5.579	2	1	72.86	9	6	45	1
TCMC1669	C36H36N2O5		576.26	0.2235	4.65	6.078	2	0	52.63	6	7	43	1
TCMC2383	C20H23NO4	Magnoflorine	342.17	-1.9843	3.11	1.008	0	2	58.92	8	4	25	0
TCMC2504	C25H40O5	Fusarielin B	420.29	0.584	3.66	2.516	5	4	93.45	16	3	30	0
TCMC2521	C27H40O4	Sargachromano D	428.29	3.6926	3.99	4.928	2	3	69.92	18	2	31	0
TCMC2630	C25H39ClO4	Dehydroxychlorofusarielin B	438.25	1.7886	3.66	3.398	4	3	73.22	16	3	30	0

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Data Section	Select to Download
1. General Information of the Component
2. TCM Prescriptions with the Component
3. Putative Targets
4. Activity & References for Filtering Putative Targets
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)

Component: Cocculus trilobus 木防己

Description of the Component

Component ID

Latin Name

English Name

Chinese Pinyin Name

中文名

TCM Properties

TCM Meridians

Therapeutic Class English

Therapeutic Class Chinese

Functions

Toxicity

Geo-authentic habitats (道地产区)

Reference

Barcode ID

Barcode Source

TCM Prescriptions with the Component

Targeted Human Proteins by the Ingredient of Component

Targeted Pathogenic Microbes by the Ingredient of Component

Ingredient Structrues

Ingredient ID: TCMC2630

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2521

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2504

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2383

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1669

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1171

Occurrence of the ingredient across TCM components

Properties

Download Data