TCM-ID Component

Description of the Component

Component ID	TCMH32
Latin Name	Alangium chinense
English Name	Chinese alangium
Chinese Pinyin Name	Ba Jiao Feng
中文名	八角枫
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	ITSAI3203-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3351	Feng Shi Ding Capsules	风湿定胶囊
TCMFx410	Feng Shi Ding Tablet	风湿定片
TCMFx3357	Feng Shi Ding Tablets	风湿定片
TCMFx7153	Jin Gu Lian Tablets	金骨莲片
TCMFx5358	Shen Nong Yao Wine	神农药酒
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
TCMT101	PTPN1	Protein-tyrosine phosphatase 1B	Hydrolase	P18031
TCMT17	POLB	DNA polymerase beta	Transferase	P06746
TCMT558	TOP2A	DNA topoisomerase II alpha	Isomerase	P11388

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1454	Bacillus subtilis

Ingredient Structrues

Ingredient ID: TCMC470
Formula: C16H12N2O3

Common Name	4,5-Dimethoxycanthin-6-One
IUPAC Name	n.a.
Canonical SMILES	COc1c(OC)c2nccc3c2n(c1=O)c1ccccc31
Standard InCHI	InChI=1S/C16H12N2O3/c1-20-14-12-13-10(7-8-17-12)9-5-3-4-6-11(9)18(13)16(19)15(14)21-2/h3-8H,1-2H3
Standard InCHIKey	ATONBUGCNDSBBC-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL2386324]; PubChem [638215];
Reference of Component-Ingredient Pair	28962866

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1214	Picrasma quassioides	Ku Mu	苦木
TCMH32	Alangium chinense	Ba Jiao Feng	八角枫
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子

Ingredient ID: TCMC2810
Formula: C15H14O4

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C1C(=C2OC[C@H](c3c2c(C1=O)c(C)cc3O)C)C
Standard InCHI	InChI=1S/C15H14O4/c1-6-4-9(16)10-7(2)5-19-15-8(3)13(17)14(18)11(6)12(10)15/h4,7,16H,5H2,1-3H3/t7-/m1/s1
Standard InCHIKey	VMUMUNGCHYCMDR-SSDOTTSWSA-N
External Identifiers	ChEMBL [CHEMBL2386326]; PubChem [73353443];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH32	Alangium chinense	Ba Jiao Feng	八角枫

Ingredient ID: TCMC2809
Formula: C15H18O

Common Name	7-Hydroxycadalin
IUPAC Name	3,8-dimethyl-5-propan-2-ylnaphthalen-2-ol
Canonical SMILES	Cc1cc2c(ccc(c2cc1O)C)C(C)C
Standard InCHI	InChI=1S/C15H18O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5-9,16H,1-4H3
Standard InCHIKey	RIWNMJBJRPCUBX-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL451475]; PubChem [608115];
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
TCMH1255	Tripterygium wilfordii	Lei Gong Teng	雷公藤
TCMH2334	Dipsacus japonicus	Xu Duan	续断
TCMH32	Alangium chinense	Ba Jiao Feng	八角枫
TCMH2698	Valeriana officinalis	Zhua Di Hu	抓地虎
TCMH1528	Bombax malabaricum	Mu Mian Pi	木棉皮
TCMH1175	Cornus officinalis	Jiu Yu Rou	酒萸肉
TCMH1172	Dipsacus japonicus	Jiu Xu Duan	酒续断
TCMH1225	Valeriana officinalis	Kuan Ye Xie Cao	宽叶缬草
TCMH2310	Valeriana officinalis	Xie Cao	缬草
TCMH1527	Bombax malabaricum	Mu Mian Hua	木棉花

Ingredient ID: TCMC2782
Formula: C15H16O3

Common Name	2,7-Dihydroxy-4-Isopropyl-6-Methyl-1-Naphthaldehyde
IUPAC Name	2,7-dihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Canonical SMILES	O=Cc1c(O)cc(c2c1cc(O)c(c2)C)C(C)C
Standard InCHI	InChI=1S/C15H16O3/c1-8(2)10-5-15(18)13(7-16)12-6-14(17)9(3)4-11(10)12/h4-8,17-18H,1-3H3
Standard InCHIKey	GBYIRCXHWOBGHE-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL2386315]; PubChem [71726175];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH32	Alangium chinense	Ba Jiao Feng	八角枫

Ingredient ID: TCMC2779
Formula: C15H22O2

Common Name	(1S,4R)-7,8-Dihydroxycalamenene
IUPAC Name	(5R,8S)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-diol
Canonical SMILES	CC([C@H]1CC[C@@H](c2c1cc(C)c(c2O)O)C)C
Standard InCHI	InChI=1S/C15H22O2/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(16)15(13)17/h7-9,11,16-17H,5-6H2,1-4H3/t9-,11+/m0/s1
Standard InCHIKey	CGMRLDYEJWKTEX-GXSJLCMTSA-N
External Identifiers	ChEMBL [CHEMBL2386327]; PubChem [14864211];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH32	Alangium chinense	Ba Jiao Feng	八角枫

Ingredient ID: TCMC1536
Formula: C15H14O3

Common Name	Mansonone E
IUPAC Name	n.a.
Canonical SMILES	CC1COC2=C(C)C(=O)C(=O)c3c2c1ccc3C
Standard InCHI	InChI=1S/C15H14O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-5,8H,6H2,1-3H3
Standard InCHIKey	SYWTYRLIJCHSLJ-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL362672]; PubChem [94303];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1860	Helicteres angustifolia	Shan Zhi Ma Gan Jin Gao	山芝麻干浸膏
TCMH32	Alangium chinense	Ba Jiao Feng	八角枫
TCMH1859	Helicteres angustifolia	Shan Zhi Ma	山芝麻

Ingredient ID: TCMC1074
Formula: C10H14N2

Common Name	Dl-Anabasine
IUPAC Name	3-piperidin-2-ylpyridine
Canonical SMILES	C1CCC(NC1)c1cccnc1
Standard InCHI	InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
Standard InCHIKey	MTXSIJUGVMTTMU-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL280963]; PubChem [2181];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH32	Alangium chinense	Ba Jiao Feng	八角枫
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC470	C16H12N2O3	4,5-Dimethoxycanthin-6-One	280.08	-1.1642	2.67	2.956	5	0	53.35	4	4	21	0
TCMC1074	C10H14N2	Dl-Anabasine	162.12	-1.3232	2.34	1.604	2	1	24.92	1	2	12	0
TCMC1536	C15H14O3	Mansonone E	242.09	0.5727	2.78	2.798	3	0	43.37	3	3	18	0
TCMC2779	C15H22O2	(1S,4R)-7,8-Dihydroxycalamenene	234.16	0.9046	2.89	4.737	0	2	40.46	7	2	17	0
TCMC2782	C15H16O3	2,7-Dihydroxy-4-Isopropyl-6-Methyl-1-Naphthaldehyde	244.11	0.1019	2.78	3.705	1	2	57.53	7	2	18	0
TCMC2809	C15H18O	7-Hydroxycadalin	214.14	1.3966	3	5.755	0	1	20.23	6	2	16	1
TCMC2810	C15H14O4		258.09	0.1124	2.67	1.413	3	1	63.6	4	3	19	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: Alangium chinense 八角枫

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: TCMC470

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2810

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2809

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2782

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2779

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1536

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1074

Occurrence of the ingredient across TCM components

Properties

Download Data