TCM-ID Component

Description of the Component

Component ID	TCMH1628
Latin Name	Fructus psoraleae corylifoliae
English Name	fruit of malaytea scurfpea
Chinese Pinyin Name	Po Gu Zhi
中文名	破故纸
TCM Properties	Extreme Warm,Pungent,Bitter
TCM Meridians	Spleen,Kidney
Therapeutic Class English	For tonifying weakness
Therapeutic Class Chinese	补虚
Functions	invigorate the function of the kidney, alleviate asthma, and relieve diarrhea
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx2415	Black Xi Pill	黑锡丹

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT130	ALOX5	Arachidonate 5-lipoxygenase	Oxidoreductase	P09917
TCMT131	ACHE	Acetylcholinesterase	Hydrolase	P22303
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
TCMT140	CA5B	Carbonic anhydrase VB	Lyase	Q9Y2D0
TCMT141	CA5A	Carbonic anhydrase VA	Lyase	P35218
TCMT142	CA4	Carbonic anhydrase IV	Lyase	P22748
TCMT143	CA3	Carbonic anhydrase III	Lyase	P07451
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT164	PTGS1	Cyclooxygenase-1	Oxidoreductase	P23219
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT189	DUSP3	Dual specificity protein phosphatase 3	Hydrolase	P51452
TCMT190	PTPN2	T-cell protein-tyrosine phosphatase	Hydrolase	P17706
TCMT206	CYP2A6	Cytochrome P450 2A6	Oxidoreductase	P11509
TCMT207	BACE1	Beta-secretase 1	Protease	P56817
TCMT208	MAOA	Monoamine oxidase A	Oxidoreductase	P21397
TCMT221	ABCB11	Bile salt export pump	Transporter	O95342
TCMT268	CYP2A13	Cytochrome P450 2A13	Oxidoreductase	Q16696
TCMT276	SLCO2B1	Solute carrier organic anion transporter family member 2B1	Transporter	O94956
TCMT277	SLCO1B3	Solute carrier organic anion transporter family member 1B3	Transporter	Q9NPD5
TCMT278	SLCO1B1	Solute carrier organic anion transporter family member 1B1	Transporter	Q9Y6L6
TCMT295	MMP1	Matrix metalloproteinase-1	Hydrolase	P03956
TCMT306	MMP2	Matrix metalloproteinase-2	Hydrolase	P08253
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT320	MMP3	Matrix metalloproteinase 3	Hydrolase	P08254
TCMT321	MMP9	Matrix metalloproteinase 9	Hydrolase	P14780
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT336	IDO1	Indoleamine 2,3-dioxygenase	Oxidoreductase	P14902
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT558	TOP2A	DNA topoisomerase II alpha	Isomerase	P11388
TCMT67	PPARG	Peroxisome proliferator-activated receptor gamma	Nuclear receptor	P37231
TCMT714	ODC1	Ornithine decarboxylase	Lyase	P11926
TCMT739	GPR35	G-protein coupled receptor 35	GPCR	Q9HC97
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1170	Enterobacter cloacae
TCMT1178	Actinomyces viscosus
TCMT1179	Escherichia coli ATCC 8739
TCMT1182	Streptococcus sanguinis
TCMT1215	Pseudomonas aeruginosa PAO1
TCMT1218	Staphylococcus aureus
TCMT1226	Klebsiella pneumoniae
TCMT1229	Enterococcus faecalis
TCMT1232	Pseudomonas aeruginosa
TCMT1246	Escherichia coli
TCMT1251	Candida albicans
TCMT1286	Bacillus cereus
TCMT1349	Helicobacter pylori SS1
TCMT1438	Plasmodium falciparum
TCMT1448	Enterobacter aerogenes
TCMT1454	Bacillus subtilis
TCMT1455	Mycobacterium tuberculosis H37Rv
TCMT1458	Filobasidiella neoformans
TCMT1462	Streptococcus mutans

Ingredient Structrues

Ingredient ID: TCMC828
Formula: C20H20O4

Common Name	Broussochalcone B
IUPAC Name	(E)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Canonical SMILES	CC(=CCc1cc(C(=O)/C=C/c2ccc(cc2)O)c(cc1O)O)C
Standard InCHI	InChI=1S/C20H20O4/c1-13(2)3-7-15-11-17(20(24)12-19(15)23)18(22)10-6-14-4-8-16(21)9-5-14/h3-6,8-12,21,23-24H,7H2,1-2H3/b10-6+
Standard InCHIKey	BLZGPHNVMRXDCB-UXBLZVDNSA-N
External Identifiers	ChEMBL [CHEMBL464428]; PubChem [6450879];
Reference of Component-Ingredient Pair	10953322

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂

Ingredient ID: TCMC758
Formula: C21H20O4

Common Name	Bavachinin
IUPAC Name	2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
Canonical SMILES	COc1cc2oc(cc(=O)c2cc1CC=C(C)C)c1ccc(cc1)O
Standard InCHI	InChI=1S/C21H20O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-12,22H,5H2,1-3H3
Standard InCHIKey	BVTZAHKRSBADDO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL458053]; PubChem [44584224];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂

Ingredient ID: TCMC757
Formula: C20H20O4

Common Name	Bavachin
IUPAC Name	(2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Canonical SMILES	CC(=CCc1cc2C(=O)C[C@H](Oc2cc1O)c1ccc(cc1)O)C
Standard InCHI	InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1
Standard InCHIKey	OAUREGNZECGNQS-IBGZPJMESA-N
External Identifiers	ChEMBL [CHEMBL469444]; PubChem [14236566];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂

Ingredient ID: TCMC697
Formula: C11H6O3

Common Name	Angelicin
IUPAC Name	furo[2,3-h]chromen-2-one
Canonical SMILES	O=c1ccc2c(o1)c1ccoc1cc2
Standard InCHI	InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
Standard InCHIKey	XDROKJSWHURZGO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL53569]; PubChem [10658];
Reference of Component-Ingredient Pair	22481536

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH517	Angelica pubescens	Du Huo	独活
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH279	Angelica pubescens	Chuan Du Huo	川独活

Ingredient ID: TCMC499
Formula: C20H18O4

Common Name	4-Hydroxyloncarpin
IUPAC Name	(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Canonical SMILES	Oc1ccc(cc1)/C=C/C(=O)c1ccc2c(c1O)C=CC(O2)(C)C
Standard InCHI	InChI=1S/C20H18O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-12,21,23H,1-2H3/b9-5+
Standard InCHIKey	IQHPDUUSMBMDGN-WEVVVXLNSA-N
External Identifiers	ChEMBL [CHEMBL362378]; PubChem [5889042];
Reference of Component-Ingredient Pair	28189973

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH2347	Ventilago leiocarpa	Xue Feng Teng	血风藤

Ingredient ID: TCMC2818
Formula: C18H24O2

Common Name	12,13-Epoxybakuchiol
IUPAC Name	4-[(1E,3S)-3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methylpenta-1,4-dienyl]phenol
Canonical SMILES	C=C[C@@](/C=C/c1ccc(cc1)O)(CCC1OC1(C)C)C
Standard InCHI	InChI=1S/C18H24O2/c1-5-18(4,13-11-16-17(2,3)20-16)12-10-14-6-8-15(19)9-7-14/h5-10,12,16,19H,1,11,13H2,2-4H3/b12-10+/t16?,18-/m0/s1
Standard InCHIKey	WHJYECILXDIKJA-AVNQGEAYSA-N
External Identifiers	ChEMBL [CHEMBL405046]; PubChem [15818782];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂

Ingredient ID: TCMC2544
Formula: C20H18O4

Common Name	Neobavaisoflavone
IUPAC Name	7-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Canonical SMILES	CC(=CCc1cc(ccc1O)c1coc2c(c1=O)ccc(c2)O)C
Standard InCHI	InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3
Standard InCHIKey	OBGPEBYHGIUFBN-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL512693]; PubChem [5320053];
Reference of Component-Ingredient Pair	19131395

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂

Ingredient ID: TCMC2445
Formula: C20H18O4

Common Name	4-Hydroxyisolonchocarpin
IUPAC Name	(E)-1-(7-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Canonical SMILES	Oc1ccc(cc1)/C=C/C(=O)c1cc2C=CC(Oc2cc1O)(C)C
Standard InCHI	InChI=1S/C20H18O4/c1-20(2)10-9-14-11-16(18(23)12-19(14)24-20)17(22)8-5-13-3-6-15(21)7-4-13/h3-12,21,23H,1-2H3/b8-5+
Standard InCHIKey	LYPURLGLYLCBSU-VMPITWQZSA-N
External Identifiers	ChEMBL [CHEMBL448217]; PubChem [5321800];
Reference of Component-Ingredient Pair	28777876

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂

Ingredient ID: TCMC2103
Formula: C30H62

Common Name	Squalane
IUPAC Name	2,6,10,15,19,23-hexamethyltetracosane
Canonical SMILES	CC(CCCC(CCCC(C)C)C)CCCCC(CCCC(CCCC(C)C)C)C
Standard InCHI	InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3
Standard InCHIKey	PRAKJMSDJKAYCZ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1552157]; PubChem [8089];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶

Ingredient ID: TCMC2037
Formula: C7H6O3

Common Name	Salicylic Acid
IUPAC Name	2-hydroxybenzoic acid
Canonical SMILES	OC(=O)c1ccccc1O
Standard InCHI	InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
Standard InCHIKey	YGSDEFSMJLZEOE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL424]; PubChem [338];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH611	Rubus idaeus	Fu Pen Zi	覆盆子
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH1865	Paeonia obovata	Shao Yao	芍药
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH1906	Cimicifuga foetida	Sheng Ma	升麻
TCMH1212	Melia azedarach	Ku Lian Zi	苦楝子
TCMH571	Paeonia suffruticosa	Fen Dan Pi	粉丹皮
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH577	Nidus vespae	Feng Fang	蜂房
TCMH2614	Polygonatum sibiricum	Zhi Huang Jing	制黄精
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH1430	Hordeum vulgare	Mai Ya	麦芽
TCMH2429	Bletilla striata	Yang Jiao Qi	羊角七
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH1966	Rehmannia glutinosa	Shu Di Huang	熟地黄
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH589	Pteris multifida	Feng Wei Cao	凤尾草
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1448	Mangifera indica	Mang Guo Ye	芒果叶
TCMH494	Cordyceps sinensis	Dong Chong Xia Cao	冬虫夏草
TCMH961	Artemisia scoparia	Huang Hao	黄蒿
TCMH1466	Rosa rugosa	Mei Gui Hua	玫瑰花
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	化香树果序
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH1900	Aconitum coreanum	Sheng Guan Bai Fu	生关白附
TCMH1512	Isatis indigotica	Mu Da Qing Ye	木大青叶
TCMH72	Bletilla striata	Bai Ji	白芨
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH310	Melia azedarach	Chuan Lian	川楝
TCMH1211	Melia azedarach	Ku Lian Pi	苦楝皮
TCMH714	Aconitum coreanum	Guan Bai Fu	关白附
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH935	Platycarya strobilacea	Hua Xiang Shu Guo	化香树果
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH126	Isatis indigotica	Ban Lan	板蓝
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH381	Isatis indigotica	Da Qing Ye	大青叶
TCMH1510	Isatis indigotica	Mu Ban Lan Gen	木板蓝根
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉
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
TCMH8	Rehmannia glutinosa	Ai Di Huang	矮地黄
TCMH451	Rehmannia glutinosa	Di Huang	地黄
TCMH453	Rehmannia glutinosa	Di Huang Tan	地黄炭
TCMH643	Rehmannia glutinosa	Gan Di Huang	干地黄
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
TCMH967	Polygonatum sibiricum	Huang Jing	黄精
TCMH968	Polygonatum sibiricum	Huang Jing Gan Jin Gao	黄精干浸膏
TCMH1160	Polygonatum sibiricum	Jiu Huang Jing	酒黄精

Ingredient ID: TCMC1961
Formula: C11H6O3

Common Name	Psoralen
IUPAC Name	furo[3,2-g]chromen-7-one
Canonical SMILES	O=c1ccc2c(o1)cc1c(c2)cco1
Standard InCHI	InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
Standard InCHIKey	ZCCUUQDIBDJBTK-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL164660]; PubChem [6199];
Reference of Component-Ingredient Pair	22407843

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1806	Radix glehniae	Sha Shen	沙参
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH1499	Changium smyrnioides	Ming Dang Shen	明党参
TCMH2215	Ficus simplicissima	Wu Zhi Mao Tao	五指毛桃
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH517	Angelica pubescens	Du Huo	独活
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH2180	Ficus carica	Wu Hua Guo	无花果
TCMH2069	Aconitum tanguticum	Tang Gu Te Wu Tou	唐古特乌头
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC1833
Formula: C23H16O6

Common Name	Pamoic Acid
IUPAC Name	4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
Canonical SMILES	OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O
Standard InCHI	InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
Standard InCHIKey	WLJNZVDCPSBLRP-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL177880]; PubChem [8546];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸

Ingredient ID: TCMC1582
Formula: C8H8O3

Common Name	Methylparaben
IUPAC Name	methyl 4-hydroxybenzoate
Canonical SMILES	COC(=O)c1ccc(cc1)O
Standard InCHI	InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
Standard InCHIKey	LXCFILQKKLGQFO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL325372]; PubChem [7456];
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
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH271	Clerodendrum trichotomum	Chou Wu Tong Ye	臭梧桐叶
TCMH1278	Radix zanthoxyli	Liang Mian Zhen	两面针
TCMH2513	Rhododendron mucronulatum	Ying Shan Hong	映山红
TCMH213	Boschniakia rossica	Cao Cong Rong	草苁蓉
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1105	Trollius chinensis	Jin Lian Hua	金莲花
TCMH1122	Psammosilene tunicoides	Jin Tie Suo	金铁锁
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	灵芝
TCMH2226	Stigma croci	Xi Hong Hua	西红花
TCMH95	Aquilaria sinensis	Bai Mu Xiang	白木香
TCMH302	Andrographis paniculata	Chuan Xin Lian Nong Suo Ye	穿心莲浓缩液
TCMH1539	Cucurbita moschata	Nan Gua	南瓜
TCMH2356	Daemonorops draco	Xue Xie	血蝎
TCMH1305	Laggera alata	Liu Ling Ju	六棱菊
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH270	Clerodendrum trichotomum	Chou Wu Tong	臭梧桐
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	灵芝浸膏
TCMH298	Andrographis paniculata	Chuan Xin Lian	穿心莲
TCMH299	Andrographis paniculata	Chuan Xin Lian Gan Jin Gao	穿心莲干浸膏
TCMH300	Andrographis paniculata	Chuan Xin Lian Jin Gao	穿心莲浸膏

Ingredient ID: TCMC1551
Formula: C12H8O4

Common Name	Methoxsalen
IUPAC Name	9-methoxyfuro[3,2-g]chromen-7-one
Canonical SMILES	COc1c2oc(=O)ccc2cc2c1occ2
Standard InCHI	InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
Standard InCHIKey	QXKHYNVANLEOEG-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL416]; PubChem [4114];
Reference of Component-Ingredient Pair	25455453

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1656	Angelica decursiva	Qian Hu	前胡
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH1542	Radix adenophorae	Nan Sha Shen	南沙参
TCMH1872	Cnidium monnieri	She Ma Zi	蛇麻子
TCMH517	Angelica pubescens	Du Huo	独活
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH74	Patrinia villosa	Bai Jiang	败酱
TCMH2562	Ruta graveolens	Yun Xiang Jin Gao	芸香浸膏
TCMH1359	Pyrola calliantha	Lu Xian Cao	鹿衔草
TCMH2746	Piper hancei	Zuan Gu Feng	钻骨风
TCMH403	Zanthoxylum echinocarpum	Dan Mian Zhen	单面针
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH1782	Ruta graveolens	San Ya Ku	三桠苦
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参
TCMH275	Piper hancei	Chuan Bi Feng	穿壁风

Ingredient ID: TCMC1381
Formula: C20H20O4

Common Name	Isobavachalcone
IUPAC Name	(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Canonical SMILES	CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1ccc(cc1)O)C
Standard InCHI	InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
Standard InCHIKey	DUWPGRAKHMEPCM-IZZDOVSWSA-N
External Identifiers	ChEMBL [CHEMBL253467]; PubChem [5281255];
Reference of Component-Ingredient Pair	10953322

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1628	Fructus psoraleae corylifoliae	Po Gu Zhi	破故纸
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH1798	Morus alba	Sang Zhi	桑枝
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	土甘草
TCMH1792	Morus alba	Sang Pi	桑皮
TCMH1797	Morus alba	Sang Ye	桑叶
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

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC499	C20H18O4	4-Hydroxyloncarpin	322.12	0.0845	3.22	4.164	1	2	66.76	7	3	24	0
TCMC697	C11H6O3	Angelicin	186.03	0.1159	2.34	2.134	1	0	39.44	0	3	14	0
TCMC757	C20H20O4	Bavachin	324.14	0.5233	3.22	3.33	1	2	66.76	7	3	24	0
TCMC758	C21H20O4	Bavachinin	336.14	0.8617	3.33	4.519	1	1	55.76	8	3	25	0
TCMC828	C20H20O4	Broussochalcone B	324.14	0.5938	3.22	4.234	1	3	77.76	10	2	24	0
TCMC1381	C20H20O4	Isobavachalcone	324.14	0.5938	3.22	4.234	1	3	77.76	10	2	24	0
TCMC1551	C12H8O4	Methoxsalen	216.04	0.0641	2.34	1.69	1	0	48.67	2	3	16	0
TCMC1582	C8H8O3	Methylparaben	152.05	-0.4491	2.01	1.391	2	1	46.53	4	1	11	0
TCMC1833	C23H16O6	Pamoic Acid	388.09	-0.944	3.33	7.252	4	4	115.06	8	4	29	1
TCMC1961	C11H6O3	Psoralen	186.03	0.1159	2.34	2.134	1	0	39.44	0	3	14	0
TCMC2037	C7H6O3	Salicylic Acid	138.03	-0.7001	1.9	2.264	2	2	57.53	3	1	10	0
TCMC2103	C30H62	Squalane	422.49	2.5074	4.76	17.044	0	0	0	29	0	30	2
TCMC2445	C20H18O4	4-Hydroxyisolonchocarpin	322.12	0.0845	3.22	4.164	1	2	66.76	7	3	24	0
TCMC2544	C20H18O4	Neobavaisoflavone	322.12	0.2901	3.22	3.945	1	2	66.76	7	3	24	0
TCMC2818	C18H24O2	12,13-Epoxybakuchiol	272.18	1.1512	3.22	6.258	1	1	32.76	10	2	20	1

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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: Fructus psoraleae corylifoliae 破故纸

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: TCMC828

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC758

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC757

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC697

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC499

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2818

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2544

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2445

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2103

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2037

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1961

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1833

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1582

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1551

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1381

Occurrence of the ingredient across TCM components

Properties

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