TCM-ID Component

Description of the Component

Component ID	TCMH1549
Latin Name	Kadsura longipedunculata
English Name	kadsura vine
Chinese Pinyin Name	Nan Wu Wei Zi
中文名	å—äº”å‘³å
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions
Toxicity	NA
Geo-authentic habitats (道地产区)	Shaanxi Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	GBVT370-13, GBVT825-13
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx778	Fu Fang Qing Dai Pills	å¤æ–¹é’é»›ä¸¸
TCMF788	Fu FangÂ GeÂ Qing Tablet	å¤æ–¹è›¤é’ç‰‡
TCMF912	Jian Nao An Shen Tablet	å¥è„‘å®‰ç¥žç‰‡
TCMFx915	Jian Pi ShengÂ XueÂ Granules	å¥è„¾ç”Ÿè¡€é¢—ç²’
TCMFx914	Jian Pi ShengÂ XueÂ Tablet	å¥è„¾ç”Ÿè¡€ç‰‡
TCMFx408	Long Mu Zhuang Gu Granules	é¾™ç‰¡å£®éª¨é¢—ç²’
TCMFx535	Ru Yi Ding Chuan Tablet	å¦‚æ„å®šå–˜ç‰‡
TCMFx6958	Shen Di Yi Shen Oral Liquid	å‚åœ°ç›Šè‚¾å£æœæ¶²
TCMFx20	Shen Qi Wu Wei Zi Capsule	å‚èŠªäº”å‘³åèƒ¶å›Š
TCMFx723	ShenÂ Qi Wu Wei Zi Tablet	å‚èŠªäº”å‘³åç‰‡
TCMFx954	Xiao Ke Pills	æ¶ˆæ¸´ä¸¸
TCMFx6668	Zhi Xie Infusion	æ¢æ³»å†²å‰‚

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
TCMT1107	Protease

Ingredient Structrues

Ingredient ID: TCMC6809
Formula: C30H36O11

Common Name	Kadsurarin
IUPAC Name	[(8S,9S,10S,11R)-11-acetyloxy-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (Z)-2-methylbut-2-enoate
Canonical SMILES	C/C=C(C(=O)O[C@H]1c2cc(OC)c(c(c2c2c(OC)c3OCOc3cc2[C@@H]([C@@H]([C@]1(C)O)C)OC(=O)C)OC)OC)/C
Standard InCHI	InChI=1S/C30H36O11/c1-10-14(2)29(32)41-28-18-12-19(34-6)24(35-7)26(36-8)22(18)21-17(11-20-25(27(21)37-9)39-13-38-20)23(40-16(4)31)15(3)30(28,5)33/h10-12,15,23,28,33H,13H2,1-9H3/b14-10-/t15-,23+,28-,30-/m0/s1
Standard InCHIKey	DHEFJFKRWXSOLG-WLRTULEQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [53389593];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1549	Kadsura longipedunculata	Nan Wu Wei Zi	å—äº”å‘³å

Ingredient ID: TCMC5424
Formula: C33H38O11

Common Name	Schizanrin H
IUPAC Name	[(8S,9S,10S,11R)-11-acetyloxy-9-hydroxy-3,4,5,14,15,16-hexamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
Canonical SMILES	COc1cc2c(c(c1OC)OC)c1c(OC)c(OC)c(cc1[C@@H]([C@@H]([C@]([C@H]2OC(=O)c1ccccc1)(C)O)C)OC(=O)C)OC
Standard InCHI	InChI=1S/C33H38O11/c1-17-26(43-18(2)34)20-15-22(37-4)27(39-6)29(41-8)24(20)25-21(16-23(38-5)28(40-7)30(25)42-9)31(33(17,3)36)44-32(35)19-13-11-10-12-14-19/h10-17,26,31,36H,1-9H3/t17-,26+,31-,33-/m0/s1
Standard InCHIKey	KXPCWLUANLWUAO-KGXBCIQTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10461385];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1549	Kadsura longipedunculata	Nan Wu Wei Zi	å—äº”å‘³å

Ingredient ID: TCMC5339
Formula: C29H34O11

Common Name	Schizanrin G
IUPAC Name	[(8S,9S,10S,11R)-11-acetyloxy-3,9-dihydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (Z)-2-methylbut-2-enoate
Canonical SMILES	C/C=C(C(=O)O[C@H]1c2cc(OC)c(c(c2c2c(OC)c3OCOc3cc2[C@@H]([C@@H]([C@]1(C)O)C)OC(=O)C)O)OC)/C
Standard InCHI	InChI=1S/C29H34O11/c1-9-13(2)28(32)40-27-17-11-18(34-6)24(35-7)22(31)20(17)21-16(10-19-25(26(21)36-8)38-12-37-19)23(39-15(4)30)14(3)29(27,5)33/h9-11,14,23,27,31,33H,12H2,1-8H3/b13-9-/t14-,23+,27-,29-/m0/s1
Standard InCHIKey	ZHZVNQFAMMCAJH-YTBDCXFJSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10257174];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1549	Kadsura longipedunculata	Nan Wu Wei Zi	å—äº”å‘³å

Ingredient ID: TCMC5308
Formula: C32H34O11

Common Name	Schizanrin F
IUPAC Name	[(8S,9S,10S,11R)-11-acetyloxy-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate
Canonical SMILES	COc1cc2c(c(c1OC)OC)c1c(OC)c3OCOc3cc1[C@@H]([C@@H]([C@]([C@H]2OC(=O)c1ccccc1)(C)O)C)OC(=O)C
Standard InCHI	InChI=1S/C32H34O11/c1-16-25(42-17(2)33)19-13-22-27(41-15-40-22)29(39-7)23(19)24-20(14-21(36-4)26(37-5)28(24)38-6)30(32(16,3)35)43-31(34)18-11-9-8-10-12-18/h8-14,16,25,30,35H,15H2,1-7H3/t16-,25+,30-,32-/m0/s1
Standard InCHIKey	CNTQTBYFFAKKFL-MLDYHGJLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10077212];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1549	Kadsura longipedunculata	Nan Wu Wei Zi	å—äº”å‘³å

Ingredient ID: TCMC4074
Formula: C28H34O9

Common Name	Ananosin A
IUPAC Name	[(8R,9S,10R,11R)-11-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (E)-2-methylbut-2-enoate
Canonical SMILES	C/C=C(/C(=O)O[C@@H]1[C@@H](C)[C@@H](C)[C@@H](O)c2c(c3c1cc(OC)c(c3OC)OC)c(OC)c1c(c2)OCO1)C
Standard InCHI	InChI=1S/C28H34O9/c1-9-13(2)28(30)37-23-15(4)14(3)22(29)16-10-19-25(36-12-35-19)27(34-8)20(16)21-17(23)11-18(31-5)24(32-6)26(21)33-7/h9-11,14-15,22-23,29H,12H2,1-8H3/b13-9+/t14-,15+,22-,23-/m1/s1
Standard InCHIKey	YREZDJJVCCDBTG-INQFUDPWSA-N
External Identifiers	ChEMBL [CHEMBL1782123]; PubChem [636622];
Reference of Component-Ingredient Pair	11738422

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1549	Kadsura longipedunculata	Nan Wu Wei Zi	å—äº”å‘³å

Ingredient ID: TCMC2267
Formula: C30H40O4

Common Name	Schisanlactone A
IUPAC Name	n.a.
Canonical SMILES	O=C1C=CC2=CC3=C(CC[C@H]2C(O1)(C)C)[C@]1([C@@](CC3)(C)[C@H](CC1)[C@@H]([C@H]1CC=C(C(=O)O1)C)C)C
Standard InCHI	InChI=1S/C30H40O4/c1-18-7-11-25(33-27(18)32)19(2)22-14-16-30(6)24-10-9-23-20(8-12-26(31)34-28(23,3)4)17-21(24)13-15-29(22,30)5/h7-8,12,17,19,22-23,25H,9-11,13-16H2,1-6H3/t19-,22+,23+,25+,29+,30-/m0/s1
Standard InCHIKey	VJNOAOVMGNCSPJ-ZCTPSQTASA-N
External Identifiers	ChEMBL [CHEMBL487866]; PubChem [44560613];
Reference of Component-Ingredient Pair	24001711

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1550	Kadsura longipedunculata	Nan Wu Wei Zi Jin Gao	å—äº”å‘³åæµ¸è†
TCMH1549	Kadsura longipedunculata	Nan Wu Wei Zi	å—äº”å‘³å

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC2267	C30H40O4	Schisanlactone A	464.29	3.6112	4.32	6.853	4	0	52.6	8	5	34	1
TCMC4074	C28H34O9	Ananosin A	514.2202827	0.4584	3.55	2.894	3	1	101.91	7	4	37	0
TCMC5308	C32H34O11	Schizanrin F	594.2101119	-0.9553	3.77	4.473	5	1	128.21	9	5	43	0
TCMC5339	C29H34O11	Schizanrin G	558.2101119	-0.0101	3.44	2.205	5	2	139.21	8	4	40	0
TCMC5424	C33H38O11	Schizanrin H	610.241412	-0.7562	3.88	4.546	5	1	128.21	11	4	44	1
TCMC6809	C30H36O11	Kadsurarin	572.225762	0.3984	3.55	2.724	5	1	128.21	9	4	41	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: Kadsura longipedunculata å—äº”å‘³å­

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: TCMC6809

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5424

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5339

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5308

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4074

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2267

Occurrence of the ingredient across TCM components

Properties

Download Data

Component: Kadsura longipedunculata å—äº”å‘³å