TCM-ID Component

Description of the Component

Component ID	TCMH140
Latin Name	Menispermum dauricum
English Name	Chinese cinquefoil
Chinese Pinyin Name	Bei Dou Gen
中文名	åŒ—è±†æ ¹
TCM Properties
TCM Meridians
Therapeutic Class English	Heat clearence
Therapeutic Class Chinese	æ¸…çƒ
Functions	remove toxic heat and relieve rheumatic pains
Toxicity	NA
Geo-authentic habitats (道地产区)	Heilongjiang Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAJ4217-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx7145	Bai Shi Qing Re Granules	ç™½çŸ³æ¸…çƒé¢—ç²’
TCMFx435	Bei Dou Gen Capsule	åŒ—è±†æ ¹èƒ¶å›Š
TCMFx434	Bei Dou Gen Tablet	åŒ—è±†æ ¹ç‰‡
TCMFx3871	Fu Fang Pu Qin Tablets	å¤æ–¹è’²èŠ©ç‰‡
TCMFx4375	Granules Gan Infusion	å¯åˆ©è‚å†²å‰‚
TCMFx4016	Jin Ling Gan Mao Tablets	é‡‘ç¾šæ„Ÿå†’ç‰‡
TCMFx4077	Kang Gan Ling Tablets	æŠ—æ„Ÿçµç‰‡
TCMFx4453	Ke Yin Pills	å…‹é“¶ä¸¸
TCMF5066	Qing Guo Pills	é’æžœä¸¸
TCMFx7100	Xiao Er Qing Re Zhi Ke Granules	å°å„¿æ¸…çƒæ¢å’³é¢—ç²’
TCMFx7026	Xiao Er Qing Re Zhi Ke Oral Liquid	å°å„¿æ¸…çƒæ¢å’³å£æœæ¶²
TCMFx41	Xiao Er Qing Re Zhi Ke Recipe	å°å„¿æ¸…çƒæ¢å’³åˆå‰‚
TCMFx7105	Xiao Er Qing Re Zhi Ke Syrup	å°å„¿æ¸…çƒæ¢å’³ç³–æµ†

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC6949
Formula: C18H13NO4

Common Name	6-O-Demethylmenisporphine
IUPAC Name	10-hydroxy-5,11-dimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
Canonical SMILES	COc1ccc2c(c1)C(=O)c1c3c2nccc3cc(c1O)OC
Standard InCHI	InChI=1S/C18H13NO4/c1-22-10-3-4-11-12(8-10)17(20)15-14-9(5-6-19-16(11)14)7-13(23-2)18(15)21/h3-8,21H,1-2H3
Standard InCHIKey	DKIZAXAMEQMBAF-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [86022376];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC6896
Formula: C37H42N2O6

Common Name	6'-Dauricinoline
IUPAC Name	(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxyphenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Canonical SMILES	COc1cc2c(cc1OC)CC[NH+]([C@@H]2Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1[NH+](C)CCc2c1cc(OC)c(c2)O)C
Standard InCHI	InChI=1S/C37H42N2O6/c1-38-15-13-26-20-36(43-4)37(44-5)22-29(26)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-34(42-3)33(41)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/p+2/t30-,31-/m1/s1
Standard InCHIKey	OMFKIOLXDGQKCF-FIRIVFDPSA-P
External Identifiers	ChEMBL [N/A]; PubChem [71463990];
Reference of Component-Ingredient Pair	12569837

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC6859
Formula: C19H15NO5

Common Name	Dauriporphinoline
IUPAC Name	10-hydroxy-5,11,12-trimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
Canonical SMILES	COc1ccc2c(c1)C(=O)c1c3c2nccc3c(c(c1O)OC)OC
Standard InCHI	InChI=1S/C19H15NO5/c1-23-9-4-5-10-12(8-9)16(21)14-13-11(6-7-20-15(10)13)18(24-2)19(25-3)17(14)22/h4-8,22H,1-3H3
Standard InCHIKey	HVXLZTVOIBKOPD-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [68232932];
Reference of Component-Ingredient Pair	16964757

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC5911
Formula: C37H42N2O6

Common Name	Daurinoline
IUPAC Name	(1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Canonical SMILES	COc1cc2c(cc1OC)CC[NH+]([C@@H]2Cc1ccc(c(c1)Oc1ccc(cc1)C[C@H]1[NH+](C)CCc2c1cc(OC)c(c2)O)O)C
Standard InCHI	InChI=1S/C37H42N2O6/c1-38-14-12-25-19-33(41)34(42-3)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/p+2/t30-,31-/m1/s1
Standard InCHIKey	APIHNXDZCYDPTF-FIRIVFDPSA-P
External Identifiers	ChEMBL [N/A]; PubChem [12309092];
Reference of Component-Ingredient Pair	12569837

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC5335
Formula: C19H24ClNO6

Common Name	Acutumine
IUPAC Name	(1S,4'S,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
Canonical SMILES	COC1=C([O-])C[C@@]23[C@](C1=[O]C)(C[C@@H]([C@@]13C(=CC(=[O]C)[C@H]1O)[O-])Cl)[NH+](C)CC2
Standard InCHI	InChI=1S/C19H26ClNO6/c1-21-6-5-17-8-10(22)14(26-3)16(27-4)18(17,21)9-12(20)19(17)13(23)7-11(25-2)15(19)24/h7,12,15,22-24H,5-6,8-9H2,1-4H3/p-1/t12-,15+,17+,18+,19+/m0/s1
Standard InCHIKey	SZTHXZKMTHTGOB-FMAJMWNWSA-M
External Identifiers	ChEMBL [CHEMBL391628]; PubChem [10200848];
Reference of Component-Ingredient Pair	25135456

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹
TCMH1680	Sinomenium acutum	Qing Feng Teng	é’é£Žè—¤

Ingredient ID: TCMC4889
Formula: C38H42N2O6

Common Name	Tetrandrine
IUPAC Name	(14S)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
Canonical SMILES	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CC[NH+](C4Cc1ccc(Oc4cc(C[C@@H]3[NH+](CC2)C)ccc4OC)cc1)C
Standard InCHI	InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/p+2/t29?,30-/m0/s1
Standard InCHIKey	WVTKBKWTSCPRNU-ZSXSBBPPSA-P
External Identifiers	ChEMBL [N/A]; PubChem [5321894];
Reference of Component-Ingredient Pair	26226751

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC4493
Formula: C19H24ClNO5

Common Name	Acutuminine
IUPAC Name	(11S)-11-chloro-3',4,5-trimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
Canonical SMILES	COC1=C([O-])CC23C(C1=[O]C)(C[C@@H](C13CC(=[O]C)C=C1[O-])Cl)[NH+](C)CC2
Standard InCHI	InChI=1S/C19H26ClNO5/c1-21-6-5-17-9-12(22)15(25-3)16(26-4)19(17,21)10-13(20)18(17)8-11(24-2)7-14(18)23/h7,13,22-23H,5-6,8-10H2,1-4H3/p-1/t13-,17?,18?,19?/m0/s1
Standard InCHIKey	ABVANEYYOPQWQA-YMVQICGQSA-M
External Identifiers	ChEMBL [N/A]; PubChem [5316424];
Reference of Component-Ingredient Pair	7873082

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC4491
Formula: C36H40N2O6

Common Name	Dauricoline
IUPAC Name	(1R)-1-[[4-[2-hydroxy-5-[(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
Canonical SMILES	COc1cc2c(cc1O)CC[NH+]([C@@H]2Cc1ccc(cc1)Oc1cc(ccc1O)CC1[NH+](C)CCc2c1cc(OC)c(c2)O)C
Standard InCHI	InChI=1S/C36H40N2O6/c1-37-13-11-24-18-32(40)34(42-3)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-35(43-4)33(41)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/p+2/t29-,30?/m1/s1
Standard InCHIKey	RAZBVKXQVFAIFI-IDCGIGBZSA-P
External Identifiers	ChEMBL [N/A]; PubChem [5316320];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC4166
Formula: C19H23NO4

Common Name	Sinomenine
IUPAC Name	(1S,9R,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Canonical SMILES	COC1=C[C@@H]2[C@H]3Cc4c([C@]2(CC1=O)CC[NH+]3C)c(O)c(cc4)OC
Standard InCHI	InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/p+1/t12-,13-,19+/m1/s1
Standard InCHIKey	INYYVPJSBIVGPH-VPZZIHKRSA-O
External Identifiers	ChEMBL [CHEMBL248095]; PubChem [1403661];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹
TCMH1680	Sinomenium acutum	Qing Feng Teng	é’é£Žè—¤

Ingredient ID: TCMC4044
Formula: C19H19NO4

Common Name	Cheilanthifoline
IUPAC Name	16-methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-17-ol
Canonical SMILES	COc1cc2c(cc1O)CC[NH+]1C2Cc2ccc3c(c2C1)OCO3
Standard InCHI	InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/p+1
Standard InCHIKey	MKRKFSHHTKVRAR-UHFFFAOYSA-O
External Identifiers	ChEMBL [N/A]; PubChem [590762];
Reference of Component-Ingredient Pair	15458726

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC3927
Formula: C18H22ClNO6

Common Name	Acutumidine
IUPAC Name	(1S,4'S,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxyspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
Canonical SMILES	COC1=C([O-])C[C@@]23[C@@](C1=[O]C)([NH2+]CC2)C[C@@H]([C@@]13C(=CC(=[O]C)[C@H]1O)[O-])Cl
Standard InCHI	InChI=1S/C18H24ClNO6/c1-24-10-6-12(22)18(14(10)23)11(19)8-17-15(26-3)13(25-2)9(21)7-16(17,18)4-5-20-17/h6,11,14,20-23H,4-5,7-8H2,1-3H3/p-1/t11-,14+,16+,17+,18+/m0/s1
Standard InCHIKey	QRVLOTKTBHRSFJ-NQTWQHAWSA-M
External Identifiers	ChEMBL [CHEMBL237548]; PubChem [442840];
Reference of Component-Ingredient Pair	11348110

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹
TCMH1680	Sinomenium acutum	Qing Feng Teng	é’é£Žè—¤

Ingredient ID: TCMC3717
Formula: C18H19NO3

Common Name	Stepharine
IUPAC Name	(4R)-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Canonical SMILES	COc1c(OC)cc2c3c1C1(C=CC(=O)C=C1)C[C@H]3[NH2+]CC2
Standard InCHI	InChI=1S/C18H19NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3-4,6-7,9,13,19H,5,8,10H2,1-2H3/p+1/t13-/m1/s1
Standard InCHIKey	OGJKMZVUJJYWKO-CYBMUJFWSA-O
External Identifiers	ChEMBL [N/A]; PubChem [193686];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹
TCMH388	Ziziphus jujuba	Da Zao	å¤§æž£
TCMH1680	Sinomenium acutum	Qing Feng Teng	é’é£Žè—¤

Ingredient ID: TCMC3598
Formula: C21H26NO4

Common Name	Menisperine
IUPAC Name	(6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol
Canonical SMILES	COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3
Standard InCHI	InChI=1S/C21H25NO4/c1-22(2)9-8-13-11-16(25-4)21(26-5)19-17(13)14(22)10-12-6-7-15(24-3)20(23)18(12)19/h6-7,11,14H,8-10H2,1-5H3/p+1/t14-/m0/s1
Standard InCHIKey	XQINTCORIZHGFD-AWEZNQCLSA-O
External Identifiers	ChEMBL [CHEMBL1186240]; PubChem [161487];
Reference of Component-Ingredient Pair	28750557

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹
TCMH949	Phellodendron amurense	Huang Bai	é»„æŸ
TCMH907	Piper nigrum	Hu Jiao	èƒ¡æ¤’
TCMH2248	Corydalis decumbens	Xia Tian Wu	å¤å¤©æ—

Ingredient ID: TCMC3522
Formula: C19H15NO4

Common Name	Menisporphine
IUPAC Name	5,10,11-trimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
Canonical SMILES	COc1ccc2c(c1)C(=O)c1c3c2nccc3cc(c1OC)OC
Standard InCHI	InChI=1S/C19H15NO4/c1-22-11-4-5-12-13(9-11)18(21)16-15-10(6-7-20-17(12)15)8-14(23-2)19(16)24-3/h4-9H,1-3H3
Standard InCHIKey	LHRMNRPHVHDOJH-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [150032];
Reference of Component-Ingredient Pair	23059629

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC3507
Formula: C20H17NO5

Common Name	Bianfugenine
IUPAC Name	5,10,11,12-tetramethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
Canonical SMILES	COc1ccc2c(c1)C(=O)c1c3c2nccc3c(c(c1OC)OC)OC
Standard InCHI	InChI=1S/C20H17NO5/c1-23-10-5-6-11-13(9-10)17(22)15-14-12(7-8-21-16(11)14)18(24-2)20(26-4)19(15)25-3/h5-9H,1-4H3
Standard InCHIKey	OOWSNEKQIRVGCG-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [137399];
Reference of Component-Ingredient Pair	4036615

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC3462
Formula: C18H11NO4

Common Name	Bianfugedine
IUPAC Name	16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.013,18]icosa-1(20),2(6),7,9,11,13(18),14,16-octaen-19-one
Canonical SMILES	COc1ccc2c(c1)C(=O)c1c3c2nccc3cc2c1OCO2
Standard InCHI	InChI=1S/C18H11NO4/c1-21-10-2-3-11-12(7-10)17(20)15-14-9(4-5-19-16(11)14)6-13-18(15)23-8-22-13/h2-7H,8H2,1H3
Standard InCHIKey	BZLSBGPHEXHPAQ-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [126022];
Reference of Component-Ingredient Pair	4036615

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC3461
Formula: C18H13NO3

Common Name	Bianfugecine
IUPAC Name	5,11-dimethoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
Canonical SMILES	COc1ccc2c(c1)C(=O)c1c3c2nccc3cc(c1)OC
Standard InCHI	InChI=1S/C18H13NO3/c1-21-11-3-4-13-14(8-11)18(20)15-9-12(22-2)7-10-5-6-19-17(13)16(10)15/h3-9H,1-2H3
Standard InCHIKey	OLIWOPDNTUVPQD-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [126021];
Reference of Component-Ingredient Pair	24359197

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC3362
Formula: C18H19NO3

Common Name	Stepharine
IUPAC Name	10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Canonical SMILES	COc1c(OC)cc2c3c1C1(C=CC(=O)C=C1)CC3[NH2+]CC2
Standard InCHI	InChI=1S/C18H19NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3-4,6-7,9,13,19H,5,8,10H2,1-2H3/p+1
Standard InCHIKey	OGJKMZVUJJYWKO-UHFFFAOYSA-O
External Identifiers	ChEMBL [CHEMBL1975436]; PubChem [98455];
Reference of Component-Ingredient Pair	27910928

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹
TCMH388	Ziziphus jujuba	Da Zao	å¤§æž£

Ingredient ID: TCMC3249
Formula: C38H44N2O6

Common Name	Dauricine
IUPAC Name	4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenol
Canonical SMILES	COc1cc2c(cc1OC)CC[NH+]([C@@H]2Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1[NH+](C)CCc2c1cc(OC)c(c2)OC)C
Standard InCHI	InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/p+2/t31-,32-/m1/s1
Standard InCHIKey	AQASRZOCERRGBL-ROJLCIKYSA-P
External Identifiers	ChEMBL [CHEMBL442717]; PubChem [73400];
Reference of Component-Ingredient Pair	22262930

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC3189
Formula: C37H42N2O6

Common Name	Daurisoline
IUPAC Name	(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-hydroxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Canonical SMILES	COc1cc2c(cc1OC)CC[NH+]([C@@H]2Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1[NH+](C)CCc2c1cc(O)c(c2)OC)C
Standard InCHI	InChI=1S/C37H42N2O6/c1-38-15-13-26-20-36(43-4)37(44-5)22-29(26)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-28-21-33(41)34(42-3)19-25(28)12-14-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/p+2/t30-,31-/m1/s1
Standard InCHIKey	BURJAQFYNVMZDV-FIRIVFDPSA-P
External Identifiers	ChEMBL [CHEMBL2216904]; PubChem [51106];
Reference of Component-Ingredient Pair	22974355

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

Ingredient ID: TCMC3159
Formula: C21H26NO4

Common Name	Menisperine
IUPAC Name	1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-11-ol
Canonical SMILES	COc1ccc2c(c1O)c1c(OC)c(OC)cc3c1C(C2)[N+](C)(C)CC3
Standard InCHI	InChI=1S/C21H25NO4/c1-22(2)9-8-13-11-16(25-4)21(26-5)19-17(13)14(22)10-12-6-7-15(24-3)20(23)18(12)19/h6-7,11,14H,8-10H2,1-5H3/p+1
Standard InCHIKey	XQINTCORIZHGFD-UHFFFAOYSA-O
External Identifiers	ChEMBL [CHEMBL175775]; PubChem [30358];
Reference of Component-Ingredient Pair	7873082

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹

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	é©¬å°¾è¿ž
TCMH799	Sinomenium acutum	Han Fang Ji	æ±‰é˜²å·±
TCMH1693	Aristolochia debilis	Qing Mu Xiang	é’æœ¨é¦™
TCMH1765	Cortex berberidis	San Ke Zhen Pi	ä¸‰æ£µé’ˆçš®
TCMH1825	Litsea cubeba	Shan Jiang Zi	å±±å§œå
TCMH388	Ziziphus jujuba	Da Zao	å¤§æž£
TCMH555	Potentilla discolor	Fan Bai Cao	ç¿»ç™½è‰
TCMH1680	Sinomenium acutum	Qing Feng Teng	é’é£Žè—¤
TCMH565	Stephania tetrandra	Fang Ji	é˜²å·±
TCMH1102	Tinospora capillipes	Jin Guo Lan	é‡‘æžœæ¦„
TCMH1516	Cocculus trilobus	Mu Fang Ji	æœ¨é˜²å·±
TCMH140	Menispermum dauricum	Bei Dou Gen	åŒ—è±†æ ¹
TCMH718	Aristolochia manshuriensis	Guan Mu Tong	å…³æœ¨é€š
TCMH727	Aristolochia fangchi	Guang Fang Ji	å¹¿é˜²å·±
TCMH1764	Cortex berberidis	San Ke Zhen	ä¸‰æ£µé’ˆ
TCMH717	Phellodendron amurense	Guan Huang Bai	å…³é»„æŸ
TCMH949	Phellodendron amurense	Huang Bai	é»„æŸ
TCMH950	Phellodendron amurense	Huang Bai Fen	é»„æŸç²‰
TCMH951	Phellodendron amurense	Huang Bai Tan	é»„æŸç‚
TCMH1397	Aristolochia debilis	Ma Dou Ling	é©¬å…œé“ƒ
TCMH511	Litsea cubeba	Dou Chi Jiang	è±†è±‰å§œ
TCMH1812	Litsea cubeba	Shan Cang Zi	å±±è‹å
TCMH283	Coptis chinensis	Chuan Huang Lian	å·é»„è¿ž
TCMH972	Coptis chinensis	Huang Lian	é»„è¿ž
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	é»„è¿žå¹²æµ¸è†
TCMH975	Coptis chinensis	Huang Lian Xu	é»„è¿žé¡»
TCMH1064	Coptis chinensis	Jiang Huang Lian	å§œé»„è¿ž
TCMH1161	Coptis chinensis	Jiu Huang Lian	é…’é»„è¿ž
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	æ‹©ç»†é»„è¿ž
TCMH2374	Phellodendron amurense	Yan Guan Huang Bai	ç›å…³é»„æŸ
TCMH2376	Corydalis yanhusuo	Yan Hu Suo	å»¶èƒ¡ç´¢
TCMH2330	Coptis chinensis	Xiong Huang Lian	é›„é»„è¿ž
TCMH2531	Coptis chinensis	Yu Huang Lian	è¸é»„è¿ž

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC2383	C20H23NO4	Magnoflorine	342.17	-1.9843	3.11	1.008	0	2	58.92	8	4	25	0
TCMC3159	C21H26NO4	Menisperine	356.1861833	-1.5758	3.22	1.527	0	1	47.92	3	4	26	0
TCMC3189	C37H42N2O6	Daurisoline	612.3199371	-3.3549	4.65	5.206	0	4	86.26	9	6	45	1
TCMC3249	C38H44N2O6	Dauricine	626.3355872	-2.9464	4.76	5.725	0	3	75.26	10	6	46	1
TCMC3362	C18H19NO3	Stepharine	298.1443185	-1.1797	3	1.535	1	1	52.14	2	4	22	0
TCMC3461	C18H13NO3	Bianfugecine	291.0895433	-0.3674	3	2.712	2	0	48.42	2	4	22	0
TCMC3462	C18H11NO4	Bianfugedine	305.0688078	-0.6183	2.89	2.195	2	0	57.65	1	5	23	0
TCMC3507	C20H17NO5	Bianfugenine	351.1106726	-0.471	3	1.824	2	0	66.88	4	4	26	0
TCMC3522	C19H15NO4	Menisporphine	321.100108	-0.4192	3	2.268	2	0	57.65	3	4	24	0
TCMC3598	C21H26NO4	Menisperine	356.1861833	-1.5758	3.22	1.527	0	1	47.92	3	4	26	0
TCMC3717	C18H19NO3	Stepharine	298.1443185	-1.1797	3	1.535	1	1	52.14	2	4	22	0
TCMC3927	C18H22ClNO6	Acutumidine	384.1213901	-3.9758	2.56	-0.041	6	2	92.19	1	4	26	0
TCMC4044	C19H19NO4	Cheilanthifoline	326.1392331	-1.9679	3	1.797	0	2	52.36	1	5	24	0
TCMC4166	C19H23NO4	Sinomenine	330.1705332	-2.2384	3	1.135	2	2	60.2	2	4	24	0
TCMC4491	C36H40N2O6	Dauricoline	598.3042871	-3.7634	4.54	4.687	0	5	97.26	8	6	44	0
TCMC4493	C19H24ClNO5	Acutuminine	382.1421256	-3.2213	2.78	0.691	5	1	59.79	1	4	26	0
TCMC4889	C38H42N2O6	Tetrandrine	624.3199371	-2.6402	4.76	5.78	0	2	64.26	4	6	46	1
TCMC5335	C19H24ClNO6	Acutumine	398.1370402	-3.8735	2.67	-0.073	6	2	80.02	1	4	27	0
TCMC5911	C37H42N2O6	Daurinoline	612.3199371	-3.3549	4.65	5.206	0	4	86.26	9	6	45	1
TCMC6859	C19H15NO5	Dauriporphinoline	337.0950226	-0.8795	2.89	1.305	2	1	77.88	3	4	25	0
TCMC6896	C37H42N2O6	6'-Dauricinoline	612.3199371	-3.3549	4.65	5.206	0	4	86.26	9	6	45	1
TCMC6949	C18H13NO4	6-O-Demethylmenisporphine	307.0844579	-0.8277	2.89	1.749	2	1	68.65	2	4	23	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: Menispermum dauricum åŒ—è±†æ ¹

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: TCMC6949

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6896

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6859

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5911

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5335

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4889

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4493

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4491

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4166

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4044

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3927

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3717

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3598

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3522

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3507

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3462

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3461

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3362

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3249

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3189

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3159

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2383

Occurrence of the ingredient across TCM components

Properties

Download Data