TCM-ID Component

Description of the Component

Component ID	TCMH1260
Latin Name	Veratrum nigrum
English Name	Black falsehellebore
Chinese Pinyin Name	Li Lu
中文名	藜芦
TCM Properties	Cold,Pungent,Bitter
TCM Meridians	Lung,Stomach,Liver
Therapeutic Class English	Vomiting promotion
Therapeutic Class Chinese	涌吐
Functions	Vomiting promotion
Toxicity	Toxic
Geo-authentic habitats (道地产区)	NA
Reference	CFDA
Barcode ID	ITSAB1115-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx5433	Shen Zhou Die Da Pills	神州跌打丸
TCMFx1549	Three Saint Stroke Powder	三圣散

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
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT125	GBA	Beta-glucocerebrosidase	Hydrolase	P04062
TCMT132	BCHE	Butyrylcholinesterase	Hydrolase	P06276
TCMT150	RORC	Nuclear receptor ROR-gamma	Nuclear receptor	P51449
TCMT213	SLC22A1	Solute carrier family 22 member 1	Transporter	O15245
TCMT217	CYP2C8	Cytochrome P450 2C8	Oxidoreductase	P10632
TCMT219	CYP1A2	Cytochrome P450 1A2	Oxidoreductase	P05177
TCMT248	CXCL8	Interleukin-8	Unclassified	P10145
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
TCMT31	CYP2C19	Cytochrome P450 2C19	Oxidoreductase	P33261
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT334	EBP	3-beta-hydroxysteroid-delta(8),delta(7)-isomerase	Isomerase	Q15125
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635
TCMT42	KMT2A	Histone-lysine N-methyltransferase MLL	Transferase	Q03164
TCMT556	HDAC2	Histone deacetylase 2	Hydrolase	Q92769
TCMT557	HDAC1	Histone deacetylase 1	Hydrolase	Q13547
TCMT690	HDAC3	Histone deacetylase 3	Hydrolase	O15379
TCMT87	CYP2C9	Cytochrome P450 2C9	Oxidoreductase	P11712

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1255	Human immunodeficiency virus 1
TCMT1438	Plasmodium falciparum

Ingredient Structrues

Ingredient ID: TCMC931
Formula: C22H25NO6

Common Name	Colchicine
IUPAC Name	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Canonical SMILES	COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)N=C(O)C)OC
Standard InCHI	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
Standard InCHIKey	IAKHMKGGTNLKSZ-INIZCTEOSA-N
External Identifiers	ChEMBL [CHEMBL107]; PubChem [6167];
Reference of Component-Ingredient Pair	28389280

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1260	Veratrum nigrum	Li Lu	藜芦
TCMH212	Iphigenia indica	Cao Bei Mu	草贝母

Ingredient ID: TCMC2227
Formula: C27H39NO2

Common Name	Veratramine
IUPAC Name	(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methylpiperidin-3-ol
Canonical SMILES	C[C@@H]1CN[C@H]([C@@H](C1)O)[C@H](c1ccc2c(c1C)C[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1
Standard InCHIKey	MALFODICFSIXPO-KFKQDBFTSA-N
External Identifiers	ChEMBL [CHEMBL464724]; PubChem [6070];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1260	Veratrum nigrum	Li Lu	藜芦

Ingredient ID: TCMC1707
Formula: C29H41NO3

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C[C@@H]1CN[C@H]([C@@H](C1)O)[C@H](c1ccc2c(c1C)C[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)C)C
Standard InCHI	InChI=1S/C29H41NO3/c1-16-12-27(32)28(30-15-16)18(3)22-8-9-23-24-7-6-20-13-21(33-19(4)31)10-11-29(20,5)26(24)14-25(23)17(22)2/h6,8-9,16,18,21,24,26-28,30,32H,7,10-15H2,1-5H3/t16-,18-,21-,24-,26-,27+,28-,29-/m0/s1
Standard InCHIKey	JYLXRDJEJNXLAL-NADQLLQKSA-N
External Identifiers	ChEMBL [CHEMBL3581568];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1260	Veratrum nigrum	Li Lu	藜芦

Ingredient ID: TCMC1706
Formula: C28H39NO4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=CO[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C
Standard InCHI	InChI=1S/C28H39NO4/c1-15-11-22-25(29-13-15)17(3)28(33-22)10-8-20-21-6-5-18-12-19(32-14-30)7-9-27(18,4)24(21)26(31)23(20)16(28)2/h5,14-15,17,19-22,24-25,29H,6-13H2,1-4H3/t15-,17+,19-,20-,21-,22+,24+,25-,27-,28-/m0/s1
Standard InCHIKey	RSRKUUDRGRLQRU-AROXZRCDSA-N
External Identifiers	ChEMBL [CHEMBL3581564];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1260	Veratrum nigrum	Li Lu	藜芦

Ingredient ID: TCMC1612
Formula: C22H25NO6

Common Name	N-(1,2,3,10-Tetramethoxy-9-Oxo-6,7-Dihydro-5H-Benzo[A]Heptalen-7-Yl)Acetamide
IUPAC Name	N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Canonical SMILES	COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1C(CC2)N=C(O)C)OC
Standard InCHI	InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
Standard InCHIKey	IAKHMKGGTNLKSZ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL87]; PubChem [2833];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1813	Asarum sagittarioides	Shan Ci Gu	山慈菇
TCMH1260	Veratrum nigrum	Li Lu	藜芦
TCMH2335	Hemerocallis fulva	Xuan Cao Gen	萱草根
TCMH272	Bulbus lilii	Chuan Bai He	川百合
TCMH212	Iphigenia indica	Cao Bei Mu	草贝母

Ingredient ID: TCMC1426
Formula: C27H39NO3

Common Name	Jervine
IUPAC Name	(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Canonical SMILES	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C
Standard InCHI	InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
Standard InCHIKey	CLEXYFLHGFJONT-DNMILWOZSA-N
External Identifiers	ChEMBL [CHEMBL186779]; PubChem [10098];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1260	Veratrum nigrum	Li Lu	藜芦
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH1532	Patrinia rupestris	Mu Tou Hui	墓头回
TCMH486	Syzygium aromaticum	Ding Xiang	丁香

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC931	C22H25NO6	Colchicine	399.17	-0.4721	3.11	1.463	4	1	86.58	11	3	29	0
TCMC1426	C27H39NO3	Jervine	425.29	-0.0124	3.99	1.88	4	2	58.56	5	6	31	0
TCMC1612	C22H25NO6	N-(1,2,3,10-Tetramethoxy-9-Oxo-6,7-Dihydro-5H-Benzo[A]Heptalen-7-Yl)Acetamide	399.17	-0.4721	3.11	1.463	4	1	86.58	11	3	29	0
TCMC1706	C28H39NO4		453.29	0.2879	3.99	2.384	5	1	64.63	6	6	33	0
TCMC1707	C29H41NO3		451.31	0.7591	4.21	7.228	4	2	58.56	10	5	33	1
TCMC2227	C27H39NO2	Veratramine	409.3	0.38	4.1	6.488	3	3	52.49	8	5	30	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: Veratrum nigrum 藜芦

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: TCMC931

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2227

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1707

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1706

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1612

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1426

Occurrence of the ingredient across TCM components

Properties

Download Data