TCM-ID Component

Description of the Component

Component ID	TCMH2207
Latin Name	Schisandra sphenanthera
English Name	longpeduncle kadsura stem
Chinese Pinyin Name	Wu Xiang Xue Teng
中文名	五香血藤
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	GBVG2276-11, CPBOL3885-11
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx5293	Wai Yong Wu Di Ointment	外用无敌膏

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT1	EHMT2	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Transferase	Q96KQ7
TCMT100	TTR	Transthyretin	Unclassified	P02766
TCMT133	CA1	Carbonic anhydrase I	Lyase	P00915
TCMT134	CA2	Carbonic anhydrase II	Lyase	P00918
TCMT135	CA14	Carbonic anhydrase XIV	Lyase	Q9ULX7
TCMT136	CA12	Carbonic anhydrase XII	Lyase	O43570
TCMT137	CA9	Carbonic anhydrase IX	Lyase	Q16790
TCMT138	CA7	Carbonic anhydrase VII	Lyase	P43166
TCMT139	CA6	Carbonic anhydrase VI	Lyase	P23280
TCMT142	CA4	Carbonic anhydrase IV	Lyase	P22748
TCMT18	GAA	Lysosomal alpha-glucosidase	Hydrolase	P10253
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT45	APP	Beta amyloid A4 protein	Unclassified	P05067
TCMT771	ATR	Serine-protein kinase ATR	Kinase	Q13535
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1175	Human immunodeficiency virus
TCMT1181	Mycobacterium tuberculosis H37Ra
TCMT1218	Staphylococcus aureus
TCMT1246	Escherichia coli
TCMT1251	Candida albicans
TCMT1255	Human immunodeficiency virus 1
TCMT1454	Bacillus subtilis
TCMT1463	Mycobacterium tuberculosis

Ingredient Structrues

Ingredient ID: TCMC923
Formula: C6H8O7

Common Name	Citric Acid
IUPAC Name	2-hydroxypropane-1,2,3-tricarboxylic acid
Canonical SMILES	OC(=O)C(CC(=O)O)(CC(=O)O)O
Standard InCHI	InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Standard InCHIKey	KRKNYBCHXYNGOX-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1261]; PubChem [311];
Reference of Component-Ingredient Pair	27765674

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH231	Litsea rotundifolia	Chai Pi Zhang	豺皮樟
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH1939	Combretum indicum	Shi Jun Zi Ren	使君子仁
TCMH101	Chelidonium majus	Bai Qu Cai	白屈菜
TCMH953	Aconitum vilmorinianum	Huang Cao Wu	黄草乌
TCMH921	Polygonum cuspidatum	Hu Zhang	虎杖
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH2515	Papaver somniferum	Ying Su Ke	罂粟壳
TCMH1162	Sarcandra glabra	Jiu Jie Cha	九节茶
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH387	Callicarpa macrophylla	Da Ye Zi Zhu	大叶紫珠
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	野山楂
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	党参清膏
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH1446	Vaccinium oxycoccos	Man Yue Mei	蔓越莓
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH2232	Scutellaria amoena	Xi Nan Huang Qin	西南黄芩
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH1121	Cardiospermum halicacabum	Jin Si Ku Lian	金丝苦楝
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	蜜款冬花
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH737	Crataegus pinnatifida	Guang Shan Zha	广山楂
TCMH1848	Crataegus pinnatifida	Shan Zha	山楂
TCMH1849	Crataegus pinnatifida	Shan Zha Chou Gao	山楂稠膏
TCMH1852	Crataegus pinnatifida	Shan Zha Qing Gao	山楂清膏
TCMH1853	Crataegus pinnatifida	Shan Zha Tan	山楂炭
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH221	Sarcandra glabra	Cao Shan Hu Jin Gao	草珊瑚浸膏
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH1223	Tussilago farfara	Kuan Dong Hua	款冬花
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏
TCMH1489	Papaver somniferum	Mi Ying Su Ke	蜜罂粟壳
TCMH2514	Papaver somniferum	Ying Su	罂粟

Ingredient ID: TCMC790
Formula: C23H28O7

Common Name	Besigomsin
IUPAC Name	n.a.
Canonical SMILES	COc1cc2C[C@](C)(O)[C@@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1
Standard InCHI	InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23-/m0/s1
Standard InCHIKey	ZWRRJEICIPUPHZ-MYODQAERSA-N
External Identifiers	ChEMBL [CHEMBL403578]; PubChem [3001662];
Reference of Component-Ingredient Pair	21927855

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC750
Formula: C20H24O4

Common Name	Austrobailignan 6
IUPAC Name	4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
Canonical SMILES	COc1cc(ccc1O)C[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)C)C
Standard InCHI	InChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
Standard InCHIKey	QDDILOVMGWUNGD-UONOGXRCSA-N
External Identifiers	ChEMBL [CHEMBL254071]; PubChem [10404245];
Reference of Component-Ingredient Pair	18704340

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC69
Formula: C4H6O5

Common Name	(2R)-2-Hydroxybutanedioic Acid
IUPAC Name	(2R)-2-hydroxybutanedioic acid
Canonical SMILES	OC(=O)C[C@H](C(=O)O)O
Standard InCHI	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m1/s1
Standard InCHIKey	BJEPYKJPYRNKOW-UWTATZPHSA-N
External Identifiers	ChEMBL [CHEMBL225986]; PubChem [92824];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1862	Cornus officinalis	Shan Zhu Yu	山茱萸
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH101	Chelidonium majus	Bai Qu Cai	白屈菜
TCMH2137	Pogostemon cablin	Tu Huo Xiang	土藿香
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH2192	Prunus mume	Wu Mei Rou	乌梅肉
TCMH1661	Rhizoma homalomenae occultae	Qian Nian Jian	千年健
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	蜜款冬花
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH93	Prunus mume	Bai Mei Hua	白梅花
TCMH2191	Prunus mume	Wu Mei	乌梅
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH519	Pogostemon cablin	Du Huo Xiang	杜藿香
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香
TCMH1008	Pogostemon cablin	Huo Xiang	藿香
TCMH1009	Pogostemon cablin	Huo Xiang Ye	藿香叶
TCMH1223	Tussilago farfara	Kuan Dong Hua	款冬花
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC2692
Formula: C16H16O4

Common Name	Deoxyshikonin
IUPAC Name	5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione
Canonical SMILES	CC(=CCCC1=CC(=O)c2c(C1=O)c(O)ccc2O)C
Standard InCHI	InChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3
Standard InCHIKey	VOMDIEGPEURZJO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL486627]; PubChem [98914];
Reference of Component-Ingredient Pair	24974168

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2706	Lithospermum erythrorhizon	Zi Cao	紫草
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH2315	Arnebia euchroma	Xin Jiang Zi Cao	新疆紫草
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC2645
Formula: C22H24O6

Common Name	Schisandrin C
IUPAC Name	n.a.
Canonical SMILES	COc1c2c(C[C@H](C)[C@@H](Cc3c2c(OC)c2c(c3)OCO2)C)cc2c1OCO2
Standard InCHI	InChI=1S/C22H24O6/c1-11-5-13-7-15-19(27-9-25-15)21(23-3)17(13)18-14(6-12(11)2)8-16-20(22(18)24-4)28-10-26-16/h7-8,11-12H,5-6,9-10H2,1-4H3/t11-,12+
Standard InCHIKey	HTBWBWWADZJXID-TXEJJXNPSA-N
External Identifiers	ChEMBL [CHEMBL437412]; PubChem [443027];
Reference of Component-Ingredient Pair	25895389

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC2609
Formula: C23H28O6

Common Name	Kadsuranin
IUPAC Name	n.a.
Canonical SMILES	COc1cc2C[C@H](C)[C@H](C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1
Standard InCHI	InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m0/s1
Standard InCHIKey	RTZKSTLPRTWFEV-QWHCGFSZSA-N
External Identifiers	ChEMBL [CHEMBL513752]; PubChem [174277];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC2608
Formula: C15H14O5

Common Name	Greveichromenol
IUPAC Name	5-hydroxy-8-(hydroxymethyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Canonical SMILES	OCc1cc(=O)c2c(o1)cc1c(c2O)C=CC(O1)(C)C
Standard InCHI	InChI=1S/C15H14O5/c1-15(2)4-3-9-11(20-15)6-12-13(14(9)18)10(17)5-8(7-16)19-12/h3-6,16,18H,7H2,1-2H3
Standard InCHIKey	MJSXHUBIQAPDNC-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL2204368]; PubChem [71450427];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤

Ingredient ID: TCMC2515
Formula: C27H30O9

Common Name	Interiotherin B
IUPAC Name	n.a.
Canonical SMILES	C/C=C(C(=O)O[C@H]1c2cc3OCOc3c(c2c2c(C[C@@H]([C@]1(C)O)C)cc1c(c2OC)OCO1)OC)/C
Standard InCHI	InChI=1S/C27H30O9/c1-7-13(2)26(28)36-25-16-10-18-22(35-12-33-18)24(31-6)20(16)19-15(8-14(3)27(25,4)29)9-17-21(23(19)30-5)34-11-32-17/h7,9-10,14,25,29H,8,11-12H2,1-6H3/b13-7-/t14-,25-,27-/m0/s1
Standard InCHIKey	KIOQRWNZGHZFHB-UFZBKZSQSA-N
External Identifiers	ChEMBL [CHEMBL490161]; PubChem [20839677];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤

Ingredient ID: TCMC2505
Formula: C29H28O8

Common Name	Interiotherin A
IUPAC Name	n.a.
Canonical SMILES	COc1c2OCOc2cc2c1c1c(C[C@@H]([C@@H]([C@H]2OC(=O)c2ccccc2)C)C)cc2c(c1OC)OCO2
Standard InCHI	InChI=1S/C29H28O8/c1-15-10-18-11-20-25(35-13-33-20)27(31-3)22(18)23-19(12-21-26(28(23)32-4)36-14-34-21)24(16(15)2)37-29(30)17-8-6-5-7-9-17/h5-9,11-12,15-16,24H,10,13-14H2,1-4H3/t15-,16-,24+/m0/s1
Standard InCHIKey	MBGKPRSARHEFAG-CCHLGUQTSA-N
External Identifiers	ChEMBL [CHEMBL484669]; PubChem [21125391];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤

Ingredient ID: TCMC2480
Formula: C16H18O4

Common Name	Peucin-7-Methyl Ether
IUPAC Name	5-hydroxy-7-methoxy-2-methyl-6-(3-methylbut-2-enyl)chromen-4-one
Canonical SMILES	COc1cc2oc(C)cc(=O)c2c(c1CC=C(C)C)O
Standard InCHI	InChI=1S/C16H18O4/c1-9(2)5-6-11-13(19-4)8-14-15(16(11)18)12(17)7-10(3)20-14/h5,7-8,18H,6H2,1-4H3
Standard InCHIKey	ACFZPAPMLYYOCT-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL2164956]; PubChem [615800];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤

Ingredient ID: TCMC2439
Formula: C15H18O2

Common Name	Dehydrocostuslactone
IUPAC Name	(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Canonical SMILES	C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1
Standard InCHI	InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
Standard InCHIKey	NETSQGRTUNRXEO-XUXIUFHCSA-N
External Identifiers	ChEMBL [CHEMBL88985]; PubChem [73174];
Reference of Component-Ingredient Pair	21624443

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1508	Commiphora myrrha	Mo Yao	没药
TCMH2538	Zea mays	Yu Mi Xu	玉米须
TCMH288	Vladimiria souliei	Chuan Mu Xiang	川木香
TCMH736	Radix aucklandiae	Guang Mu Xiang	广木香
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH1507	Commiphora myrrha	Mo Xiang	没香

Ingredient ID: TCMC2333
Formula: C30H32O9

Common Name	Gomisin G
IUPAC Name	n.a.
Canonical SMILES	COc1c2OCOc2cc2c1c1c(C[C@@H]([C@]([C@H]2OC(=O)c2ccccc2)(C)O)C)cc(c(c1OC)OC)OC
Standard InCHI	InChI=1S/C30H32O9/c1-16-12-18-13-20(33-3)24(34-4)26(35-5)22(18)23-19(14-21-25(27(23)36-6)38-15-37-21)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1
Standard InCHIKey	OFDWKHIQKPKRKY-DSASHONVSA-N
External Identifiers	ChEMBL [CHEMBL515928]; PubChem [14992067];
Reference of Component-Ingredient Pair	15893434

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC2329
Formula: C29H28O9

Common Name	Schisantherin D
IUPAC Name	n.a.
Canonical SMILES	COc1c2OCOc2cc2c1c1c(C[C@@H]([C@]([C@H]2OC(=O)c2ccccc2)(C)O)C)cc2c(c1OC)OCO2
Standard InCHI	InChI=1S/C29H28O9/c1-15-10-17-11-19-23(36-13-34-19)25(32-3)21(17)22-18(12-20-24(26(22)33-4)37-14-35-20)27(29(15,2)31)38-28(30)16-8-6-5-7-9-16/h5-9,11-12,15,27,31H,10,13-14H2,1-4H3/t15-,27-,29-/m0/s1
Standard InCHIKey	PGEJVRVFUGSAJF-SSEZWIOCSA-N
External Identifiers	ChEMBL [CHEMBL475880]; PubChem [163067];
Reference of Component-Ingredient Pair	26685855

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC2228
Formula: C9H10O4

Common Name	Veratric Acid
IUPAC Name	3,4-dimethoxybenzoic acid
Canonical SMILES	COc1cc(ccc1OC)C(=O)O
Standard InCHI	InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
Standard InCHIKey	DAUAQNGYDSHRET-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL118903]; PubChem [7121];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH1114	Herba glechomae longitubae	Jin Qian Cao	金钱草
TCMH331	Eleutherococcus senticosus	Ci Wu Jia Qing Gao	刺五加清膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	刺五加
TCMH328	Eleutherococcus senticosus	Ci Wu Jia Gao	刺五加膏
TCMH329	Eleutherococcus senticosus	Ci Wu Jia Jin Gao	刺五加浸膏
TCMH330	Eleutherococcus senticosus	Ci Wu Jia Jin Yu	刺五加浸育
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC2049
Formula: C23H30O6

Common Name	Schisanhenol
IUPAC Name	n.a.
Canonical SMILES	COc1cc2C[C@H](C)[C@H](C)Cc3c(c2c(c1OC)O)c(OC)c(c(c3)OC)OC
Standard InCHI	InChI=1S/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/m0/s1
Standard InCHIKey	FYSHYFPJBONYCQ-QWHCGFSZSA-N
External Identifiers	ChEMBL [CHEMBL490125]; PubChem [73057];
Reference of Component-Ingredient Pair	26626254

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC2048
Formula: C23H28O6

Common Name	Schisandrin B
IUPAC Name	n.a.
Canonical SMILES	COc1cc2CC(C)C(C)Cc3c(c2c(c1OC)OC)c(OC)c1c(c3)OCO1
Standard InCHI	InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
Standard InCHIKey	RTZKSTLPRTWFEV-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL479488]; PubChem [108130];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH151	Rosmarinus officinalis	Bei Wu Wei	北五味
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC2047
Formula: C24H32O6

Common Name	Schisandrin A
IUPAC Name	n.a.
Canonical SMILES	COc1c2c(C[C@H](C)[C@@H](Cc3c2c(OC)c(c(c3)OC)OC)C)cc(c1OC)OC
Standard InCHI	InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+
Standard InCHIKey	JEJFTTRHGBKKEI-OKILXGFUSA-N
External Identifiers	ChEMBL [CHEMBL253908]; PubChem [155256];
Reference of Component-Ingredient Pair	18270702

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Ingredient ID: TCMC1907
Formula: C8H6O4

Common Name	Piperonylic Acid
IUPAC Name	1,3-benzodioxole-5-carboxylic acid
Canonical SMILES	OC(=O)c1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
Standard InCHIKey	VDVJGIYXDVPQLP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL573781]; PubChem [7196];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤

Ingredient ID: TCMC1572
Formula: C10H10O4

Common Name	Methylcaffeate
IUPAC Name	methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Canonical SMILES	COC(=O)/C=C/c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+
Standard InCHIKey	OCNYGKNIVPVPPX-HWKANZROSA-N
External Identifiers	ChEMBL [CHEMBL17001]; PubChem [689075];
Reference of Component-Ingredient Pair	24293730

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2352	Saussurea involucrata	Xue Lian Hua	雪莲花
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	蒲公英浸膏
TCMH316	Ailanthi cortex	Chun Pi	椿皮
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	蜜款冬花
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2213	Ipomoea cairica	Wu Zhao Long	五爪龙
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH2098	Saussurea involucrata	Tian Shan Xue Lian Hua	天山雪莲花
TCMH2351	Saussurea involucrata	Xue Lian	雪莲
TCMH978	Taraxacum mongolicum	Huang Miao	黄苗
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH1223	Tussilago farfara	Kuan Dong Hua	款冬花

Ingredient ID: TCMC1566
Formula: C10H10O3

Common Name	Methyl P-Hydroxycinnamate
IUPAC Name	methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Canonical SMILES	COC(=O)/C=C/c1ccc(cc1)O
Standard InCHI	InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
Standard InCHIKey	NITWSHWHQAQBAW-QPJJXVBHSA-N
External Identifiers	ChEMBL [CHEMBL146816]; PubChem [5319562];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH600	Euonymus fortunei	Fu Fang Teng	扶芳藤
TCMH271	Clerodendrum trichotomum	Chou Wu Tong Ye	臭梧桐叶
TCMH2513	Rhododendron mucronulatum	Ying Shan Hong	映山红
TCMH213	Boschniakia rossica	Cao Cong Rong	草苁蓉
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH2147	Radix rehmanniae	Tu Sheng Di	土生地
TCMH1896	Radix rehmanniae	Sheng Di Huang	生地黄
TCMH1897	Radix rehmanniae	Sheng Di Huang Zhi	生地黄汁
TCMH270	Clerodendrum trichotomum	Chou Wu Tong	臭梧桐

Ingredient ID: TCMC1285
Formula: C30H32O9

Common Name	Gomisin C
IUPAC Name	n.a.
Canonical SMILES	COc1cc2c(c(c1OC)OC)c1c(cc3c(c1OC)OCO3)C[C@@H]([C@]([C@H]2OC(=O)c1ccccc1)(C)O)C
Standard InCHI	InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1
Standard InCHIKey	UFCGDBKFOKKVAC-DSASHONVSA-N
External Identifiers	ChEMBL [CHEMBL404875]; PubChem [151529];
Reference of Component-Ingredient Pair	26685855

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC69	C4H6O5	(2R)-2-Hydroxybutanedioic Acid	134.02	-1.0622	1.35	-1.474	5	3	94.83	6	0	9	0
TCMC750	C20H24O4	Austrobailignan 6	328.17	0.0944	3.22	5.684	0	1	47.92	10	3	24	1
TCMC790	C23H28O7	Besigomsin	416.18	-0.0398	3.22	2.307	1	1	75.61	11	4	30	0
TCMC923	C6H8O7	Citric Acid	192.03	-1.395	1.35	-2.247	7	4	132.13	9	0	13	0
TCMC1285	C30H32O9	Gomisin C	536.2	-0.5025	3.77	4.763	3	1	101.91	14	5	39	0
TCMC1566	C10H10O3	Methyl P-Hydroxycinnamate	178.06	-0.088	2.23	2.207	2	1	46.53	5	1	13	0
TCMC1572	C10H10O4	Methylcaffeate	194.06	-0.5483	2.12	1.462	2	2	66.76	6	1	14	0
TCMC1907	C8H6O4	Piperonylic Acid	166.03	-0.5425	1.9	1.072	2	1	55.76	2	2	12	0
TCMC2047	C24H32O6	Schisandrin A	416.22	0.5984	3.44	4.556	0	0	55.38	14	3	30	0
TCMC2048	C23H28O6	Schisandrin B	400.19	0.3993	3.33	4.483	0	0	55.38	10	4	29	0
TCMC2049	C23H30O6	Schisanhenol	402.2	0.1899	3.33	4.037	0	1	66.38	13	3	29	0
TCMC2228	C9H10O4	Veratric Acid	182.06	-0.3434	2.01	1.145	2	1	55.76	6	1	13	0
TCMC2329	C29H28O9	Schisantherin D	520.17	-0.7016	3.66	4.69	3	1	101.91	10	6	38	0
TCMC2333	C30H32O9	Gomisin G	536.2	-0.5025	3.77	4.763	3	1	101.91	14	5	39	0
TCMC2439	C15H18O2	Dehydrocostuslactone	230.13	1.6555	2.89	2.451	2	0	26.3	0	3	17	0
TCMC2480	C16H18O4	Peucin-7-Methyl Ether	274.12	1.3012	2.78	2.406	1	1	55.76	8	2	20	0
TCMC2505	C29H28O8	Interiotherin A	504.18	-0.2625	3.77	6.022	2	0	81.68	9	6	37	1
TCMC2515	C27H30O9	Interiotherin B	498.19	0.6521	3.44	2.941	3	1	101.91	12	5	36	0
TCMC2608	C15H14O5	Greveichromenol	274.08	-0.5048	2.56	0.78	2	2	75.99	5	3	20	0
TCMC2609	C23H28O6	Kadsuranin	400.19	0.3993	3.33	4.483	0	0	55.38	10	4	29	0
TCMC2645	C22H24O6	Schisandrin C	384.16	0.2002	3.22	4.41	0	0	55.38	6	5	28	0
TCMC2692	C16H16O4	Deoxyshikonin	272.1	0.5915	2.78	1.615	2	2	74.6	7	2	20	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: Schisandra sphenanthera 五香血藤

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: TCMC923

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC790

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC750

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC69

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2692

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2645

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2609

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2608

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2515

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2505

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2480

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2439

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2333

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2329

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2228

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2049

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2048

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2047

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1907

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1572

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1566

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1285

Occurrence of the ingredient across TCM components

Properties

Download Data