TCM-ID Component

Description of the Component

Component ID	TCMH2044
Latin Name	Caesalpinia sappan
English Name	Sappan caesalpinia
Chinese Pinyin Name	Su Mu
中文名	è‹æœ¨
TCM Properties	Mild,Pungent,Sweet,Salty
TCM Meridians	Spleen,Liver,Heart
Therapeutic Class English	Blood activation and stasis removal
Therapeutic Class Chinese	æ´»è¡€åŒ–æ·¤
Functions	promote blood circulation and remove blood stasis, and cause subsidence of swelling and relieve pain
Toxicity	NA
Geo-authentic habitats (道地产区)	Yunnan Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAJ4578-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3341	Die Da Bang Yao Wine	è·Œæ‰“æ¦œè¯é…’
TCMF3410	Die Da Sun Shang Pills	è·Œæ‰“æŸä¼¤ä¸¸
TCMFx3402	Die Da Sun Shang Powder	è·Œæ‰“æŸä¼¤æ•£
TCMFx3386	Die Da Tablets	è·Œæ‰“ç‰‡
TCMFx3418	Die Da Wan Hua You	è·Œæ‰“ä¸‡èŠ±æ²¹
TCMFx1440	Dieda Pills	è·Œæ‰“ä¸¸
TCMFx2620	Dieda Pills	è·Œæ‰“ä¸¸
TCMF3861	Fu Ke Hui Sheng Pills	å¦‡ç§‘å›žç”Ÿä¸¸
TCMFx3924	Fu Ke Wan Ying Ointment	å¦‡ç§‘ä¸‡åº”è†
TCMFx3932	Fu Ke Wu Jin Pills	å¦‡ç§‘ä¹Œé‡‘ä¸¸
TCMFx365	Hua Zheng Hui Sheng Tablet	åŒ–ç—‡å›žç”Ÿç‰‡
TCMF2636	Huazheng Huisheng Tablets	åŒ–ç—‡å›žç”Ÿç‰‡
TCMF4387	Huo Xue Li Shang Pills	æ´»è¡€ç†ä¼¤ä¸¸
TCMF4401	Huo Xue Tiao Jing Pills	æ´»è¡€è°ƒç»ä¸¸
TCMFx4700	Jie Hong Die Da Ding	ç«çº¢è·Œæ‰“é…Š
TCMF4284	Jin Gu Ning Cha Ji	ç‹éª¨å®æ½å‰‚
TCMF7034	Jin Shang Ning Shi Fu Ji	ç‹ä¼¤å®æ¹¿æ•·å‰‚
TCMF5117	Qu Feng Ointment	ç¥›é£Žè†
TCMFx5065	San Qi Huo Xue Pills	ä¸‰ä¸ƒæ´»è¡€ä¸¸
TCMFx5121	San Qi Yao Wine	ä¸‰ä¸ƒè¯é…’
TCMFx5694	Shang Ke Wan Hua You	ä¼¤ç§‘ä¸‡èŠ±æ²¹
TCMFx5810	Shang Tong Shu	ä¼¤ç—›èˆ’
TCMFx5886	Shao Lin Zheng Gu Jing	å°‘æž—æ£éª¨ç²¾
TCMFx5154	She Xiang Jie Gu Capsules	éºé¦™æŽ¥éª¨èƒ¶å›Š
TCMFx5298	She Xiang Zhui Feng Ointment	éºé¦™è¿½é£Žè†
TCMF5424	Shu Jin Huo Xue Pills	èˆ’ç‹æ´»è¡€ä¸¸
TCMFx5388	Tian He Zhui Feng Ointment	å¤©å’Œè¿½é£Žè†
TCMFx5535	Tian Qi Die Da Feng Shi Ruan Ointment	ç”°ä¸ƒè·Œæ‰“é£Žæ¹¿è½¯è†
TCMFx5543	Tian Qi Die Da Pills	ç”°ä¸ƒè·Œæ‰“ä¸¸
TCMFx7191	Tian Qi Zhen Tong Ointment	ç”°ä¸ƒé•‡ç—›è†
TCMFx256	TianÂ HeÂ Zhui Feng Ointment	å¤©å’Œè¿½é£Žè†
TCMFx5125	Tong Zhong Ling	ç—›è‚¿çµ
TCMFx5220	Wai Cha Bai Ling Ding	å¤–æ½ç™½çµé…Š
TCMFx5293	Wai Yong Wu Di Ointment	å¤–ç”¨æ— æ•Œè†
TCMF5425	Wang Hui Hui Gou Pi Ointment	çŽ‹å›žå›žç‹—çš®è†
TCMF5323	Wu Di Dan Capsules	æ— æ•Œä¸¹èƒ¶å›Š
TCMFx5254	Wu Jin Zhi Tong Pills	ä¹Œé‡‘æ¢ç—›ä¸¸
TCMFx957	Xiao Yu Kang Capsule	æ¶ˆç˜€åº·èƒ¶å›Š
TCMFx64	Xiao Yu Kang Tablets	æ¶ˆç˜€åº·ç‰‡
TCMFx6310	Zheng Gu Ointment	æ£éª¨è†

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
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
TCMT156	CYP19A1	Cytochrome P450 19A1	Oxidoreductase	P11511
TCMT162	UGT1A1	UDP-glucuronosyltransferase 1-1	Transferase	P22309
TCMT2	MAPT	Microtubule-associated protein tau	Unclassified	P10636
TCMT223	AKR1B1	Aldose reductase	Oxidoreductase	P15121
TCMT248	CXCL8	Interleukin-8	Unclassified	P10145
TCMT281	DPP4	Dipeptidyl peptidase IV	Unclassified	P27487
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT41	IDH1	Isocitrate dehydrogenase [NADP] cytoplasmic	Oxidoreductase	O75874
TCMT69	THRB	Thyroid hormone receptor beta-1	Nuclear receptor	P10828
TCMT8	KDM4E	Lysine-specific demethylase 4D-like	Oxidoreductase	B2RXH2
TCMT80	MAPK1	MAP kinase ERK2	Kinase	P28482
TCMT82	ESR1	Estrogen receptor alpha	Nuclear receptor	P03372
TCMT822	FUT7	Alpha-(1,3)-fucosyltransferase 7	Transferase	Q11130

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1178	Actinomyces viscosus
TCMT1255	Human immunodeficiency virus 1
TCMT1382	Plasmodium falciparum (isolate K1 / Thailand)
TCMT1438	Plasmodium falciparum
TCMT1465	Entamoeba histolytica

Ingredient Structrues

Ingredient ID: TCMC7321
Formula: C17H18O6

Common Name	10-O-Methyl Protosappanin B
IUPAC Name	(10S)-10-(hydroxymethyl)-14-methoxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,15-triol
Canonical SMILES	OC[C@]1(O)COc2cc(O)ccc2c2c(C1)cc(OC)c(c2)O
Standard InCHI	InChI=1S/C17H18O6/c1-22-16-4-10-7-17(21,8-18)9-23-15-5-11(19)2-3-12(15)13(10)6-14(16)20/h2-6,18-21H,7-9H2,1H3/t17-/m0/s1
Standard InCHIKey	MPBIWBGTEYMVRN-KRWDZBQOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [124355840];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6973
Formula: C16H14O5

Common Name	3-Deoxysappanone B
IUPAC Name	(3R)-3-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2,3-dihydrochromen-4-one
Canonical SMILES	Oc1ccc2c(c1)OC[C@H](C2=O)Cc1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C16H14O5/c17-11-2-3-12-15(7-11)21-8-10(16(12)20)5-9-1-4-13(18)14(19)6-9/h1-4,6-7,10,17-19H,5,8H2/t10-/m1/s1
Standard InCHIKey	KCUXSQJYIWEGRG-SNVBAGLBSA-N
External Identifiers	ChEMBL [N/A]; PubChem [91825567];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6694
Formula: C16H12O4

Common Name	7-Hydroxy-3-(4'-Hydroxybenzylidene)-Chroman-4-One
IUPAC Name	(3E)-7-hydroxy-3-[(4-hydroxyphenyl)methylidene]chromen-4-one
Canonical SMILES	Oc1ccc(cc1)/C=C/1COc2c(C1=O)ccc(c2)O
Standard InCHI	InChI=1S/C16H12O4/c17-12-3-1-10(2-4-12)7-11-9-20-15-8-13(18)5-6-14(15)16(11)19/h1-8,17-18H,9H2/b11-7+
Standard InCHIKey	CWFKSHWAQPOKQP-YRNVUSSQSA-N
External Identifiers	ChEMBL [CHEMBL250414]; PubChem [44443280];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6182
Formula: C32H26O11

Common Name	Protosappanin E2
IUPAC Name	(10R)-10-[(1S,10R,19R)-5,14,15-trihydroxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2(7),3,5,12,14,16-hexaen-19-yl]-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol
Canonical SMILES	Oc1ccc2c(c1)OC[C@@]13[C@]2(O[C@H](O3)[C@]2(O)COc3cc(O)ccc3c3c(C2)cc(O)c(c3)O)c2cc(O)c(cc2C1)O
Standard InCHI	InChI=1S/C32H26O11/c33-17-1-3-19-20-9-25(37)23(35)5-15(20)11-30(39,13-40-27(19)7-17)29-42-31-12-16-6-24(36)26(38)10-22(16)32(31,43-29)21-4-2-18(34)8-28(21)41-14-31/h1-10,29,33-39H,11-14H2/t29-,30+,31+,32+/m0/s1
Standard InCHIKey	PTEHIEUVVCAMMF-SYEZAVJTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14608472];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6181
Formula: C32H26O11

Common Name	Protosappanin E1
IUPAC Name	(10R)-10-[(1S,10R,19S)-5,14,15-trihydroxy-8,18,20-trioxapentacyclo[8.7.3.01,10.02,7.012,17]icosa-2(7),3,5,12,14,16-hexaen-19-yl]-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol
Canonical SMILES	Oc1ccc2c(c1)OC[C@@]13[C@]2(O[C@@H](O3)[C@]2(O)COc3cc(O)ccc3c3c(C2)cc(O)c(c3)O)c2cc(O)c(cc2C1)O
Standard InCHI	InChI=1S/C32H26O11/c33-17-1-3-19-20-9-25(37)23(35)5-15(20)11-30(39,13-40-27(19)7-17)29-42-31-12-16-6-24(36)26(38)10-22(16)32(31,43-29)21-4-2-18(34)8-28(21)41-14-31/h1-10,29,33-39H,11-14H2/t29-,30-,31-,32-/m1/s1
Standard InCHIKey	PTEHIEUVVCAMMF-SEVDZJIVSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14608471];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6034
Formula: C16H14O6

Common Name	Sappanone B
IUPAC Name	(3R)-3-[(3,4-dihydroxyphenyl)methyl]-3,7-dihydroxy-2H-chromen-4-one
Canonical SMILES	Oc1ccc2c(c1)OC[C@](C2=O)(O)Cc1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C16H14O6/c17-10-2-3-11-14(6-10)22-8-16(21,15(11)20)7-9-1-4-12(18)13(19)5-9/h1-6,17-19,21H,7-8H2/t16-/m1/s1
Standard InCHIKey	BTLMXNHNFFXBHW-MRXNPFEDSA-N
External Identifiers	ChEMBL [CHEMBL477778]; PubChem [13888976];
Reference of Component-Ingredient Pair	24703330

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6033
Formula: C17H18O6

Common Name	4-O-Methyl Episappanol
IUPAC Name	(3R,4R)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol
Canonical SMILES	CO[C@@H]1c2ccc(cc2OC[C@]1(O)Cc1ccc(c(c1)O)O)O
Standard InCHI	InChI=1S/C17H18O6/c1-22-16-12-4-3-11(18)7-15(12)23-9-17(16,21)8-10-2-5-13(19)14(20)6-10/h2-7,16,18-21H,8-9H2,1H3/t16-,17-/m1/s1
Standard InCHIKey	HHDPKXQKOWHDNA-IAGOWNOFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [13888974];
Reference of Component-Ingredient Pair	19420770

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6032
Formula: C17H18O6

Common Name	4-O-Methyl Sappanol
IUPAC Name	(3R,4S)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol
Canonical SMILES	CO[C@H]1c2ccc(cc2OC[C@]1(O)Cc1ccc(c(c1)O)O)O
Standard InCHI	InChI=1S/C17H18O6/c1-22-16-12-4-3-11(18)7-15(12)23-9-17(16,21)8-10-2-5-13(19)14(20)6-10/h2-7,16,18-21H,8-9H2,1H3/t16-,17+/m0/s1
Standard InCHIKey	HHDPKXQKOWHDNA-DLBZAZTESA-N
External Identifiers	ChEMBL [CHEMBL477780]; PubChem [13888973];
Reference of Component-Ingredient Pair	23154842

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6020
Formula: C18H20O7

Common Name	Protosappanin C Dimethyl Acetal
IUPAC Name	(10R)-10-(dimethoxymethyl)-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol
Canonical SMILES	COC([C@]1(O)COc2cc(O)ccc2c2c(C1)cc(O)c(c2)O)OC
Standard InCHI	InChI=1S/C18H20O7/c1-23-17(24-2)18(22)8-10-5-14(20)15(21)7-13(10)12-4-3-11(19)6-16(12)25-9-18/h3-7,17,19-22H,8-9H2,1-2H3/t18-/m1/s1
Standard InCHIKey	NARGLQUVKLLOJU-GOSISDBHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [13846696];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6019
Formula: C16H14O6

Common Name	Protosappanin C
IUPAC Name	(10R)-5,10,14,15-tetrahydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-10-carbaldehyde
Canonical SMILES	O=C[C@]1(O)COc2cc(O)ccc2c2c(C1)cc(O)c(c2)O
Standard InCHI	InChI=1S/C16H14O6/c17-7-16(21)6-9-3-13(19)14(20)5-12(9)11-2-1-10(18)4-15(11)22-8-16/h1-5,7,18-21H,6,8H2/t16-/m0/s1
Standard InCHIKey	QNHPMVBTMIUVRU-INIZCTEOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [13846692];
Reference of Component-Ingredient Pair	17202686

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6018
Formula: C16H16O6

Common Name	Protosappanin B
IUPAC Name	(10S)-10-(hydroxymethyl)-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol
Canonical SMILES	OC[C@]1(O)COc2cc(O)ccc2c2c(C1)cc(O)c(c2)O
Standard InCHI	InChI=1S/C16H16O6/c17-7-16(21)6-9-3-13(19)14(20)5-12(9)11-2-1-10(18)4-15(11)22-8-16/h1-5,17-21H,6-8H2/t16-/m0/s1
Standard InCHIKey	QRTYTQTVJQUCEP-INIZCTEOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [13846690];
Reference of Component-Ingredient Pair	26036624

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6017
Formula: C16H16O5

Common Name	3'-Deoxysappanol
IUPAC Name	(3R,4S)-3-[(4-hydroxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
Canonical SMILES	Oc1ccc(cc1)C[C@@]1(O)COc2c([C@@H]1O)ccc(c2)O
Standard InCHI	InChI=1S/C16H16O5/c17-11-3-1-10(2-4-11)8-16(20)9-21-14-7-12(18)5-6-13(14)15(16)19/h1-7,15,17-20H,8-9H2/t15-,16+/m0/s1
Standard InCHIKey	IYAYKNOVHBOSPH-JKSUJKDBSA-N
External Identifiers	ChEMBL [CHEMBL1916184]; PubChem [13846660];
Reference of Component-Ingredient Pair	21853494

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6016
Formula: C16H16O6

Common Name	Sappanol
IUPAC Name	(3R,4S)-3-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
Canonical SMILES	Oc1ccc2c(c1)OC[C@]([C@H]2O)(O)Cc1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C16H16O6/c17-10-2-3-11-14(6-10)22-8-16(21,15(11)20)7-9-1-4-12(18)13(19)5-9/h1-6,15,17-21H,7-8H2/t15-,16+/m0/s1
Standard InCHIKey	MPGFEHZDABUJFR-JKSUJKDBSA-N
External Identifiers	ChEMBL [CHEMBL477779]; PubChem [13846649];
Reference of Component-Ingredient Pair	23154842

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6015
Formula: C17H16O5

Common Name	3'-O-Methylbrazilin
IUPAC Name	(6aS,11bR)-9-methoxy-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,10-triol
Canonical SMILES	COc1cc2C[C@@]3([C@H](c2cc1O)c1ccc(cc1OC3)O)O
Standard InCHI	InChI=1S/C17H16O5/c1-21-15-4-9-7-17(20)8-22-14-5-10(18)2-3-11(14)16(17)12(9)6-13(15)19/h2-6,16,18-20H,7-8H2,1H3/t16-,17+/m0/s1
Standard InCHIKey	RDWWRPSMRUBPHK-DLBZAZTESA-N
External Identifiers	ChEMBL [CHEMBL2207721]; PubChem [13846641];
Reference of Component-Ingredient Pair	18794793

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6014
Formula: C17H18O6

Common Name	3'-O-Methyl Episappanol
IUPAC Name	(3R,4R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
Canonical SMILES	COc1cc(ccc1O)C[C@@]1(O)COc2c([C@H]1O)ccc(c2)O
Standard InCHI	InChI=1S/C17H18O6/c1-22-15-6-10(2-5-13(15)19)8-17(21)9-23-14-7-11(18)3-4-12(14)16(17)20/h2-7,16,18-21H,8-9H2,1H3/t16-,17-/m1/s1
Standard InCHIKey	JIJQATZAZOPDCS-IAGOWNOFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [13846640];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC6013
Formula: C17H18O6

Common Name	3'-O-Methyl Sappanol
IUPAC Name	(3R,4S)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
Canonical SMILES	COc1cc(ccc1O)C[C@@]1(O)COc2c([C@@H]1O)ccc(c2)O
Standard InCHI	InChI=1S/C17H18O6/c1-22-15-6-10(2-5-13(15)19)8-17(21)9-23-14-7-11(18)3-4-12(14)16(17)20/h2-7,16,18-21H,8-9H2,1H3/t16-,17+/m0/s1
Standard InCHIKey	JIJQATZAZOPDCS-DLBZAZTESA-N
External Identifiers	ChEMBL [N/A]; PubChem [13846639];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC581
Formula: C16H14O5

Common Name	7,11B-Dihydro-6H-Indeno[2,1-C]Chromene-3,6A,9,10-Tetrol
IUPAC Name	7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol
Canonical SMILES	Oc1ccc2c(c1)OCC1(C2c2cc(O)c(cc2C1)O)O
Standard InCHI	InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2
Standard InCHIKey	UWHUTZOCTZJUKC-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1370456]; PubChem [222515];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC5681
Formula: C32H26O10

Common Name	Neoprotosappanin
IUPAC Name	(6aS,11bR)-2-[(6aS,7S,11bR)-3,6a,9,10-tetrahydroxy-7,11b-dihydro-6H-indeno[2,1-c]chromen-7-yl]-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol
Canonical SMILES	Oc1ccc2c(c1)OC[C@]1([C@@H]2c2cc(O)c(cc2[C@H]1c1cc2c(cc1O)OC[C@]1([C@@H]2c2cc(O)c(cc2C1)O)O)O)O
Standard InCHI	InChI=1S/C32H26O10/c33-14-1-2-15-26(4-14)42-12-32(40)29(15)17-7-24(37)25(38)8-18(17)30(32)19-5-20-27(9-21(19)34)41-11-31(39)10-13-3-22(35)23(36)6-16(13)28(20)31/h1-9,28-30,33-40H,10-12H2/t28-,29+,30+,31-,32-/m1/s1
Standard InCHIKey	SVMSBSYDAWOPNJ-UNKWROQRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [11353625];
Reference of Component-Ingredient Pair	16079532

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC5678
Formula: C17H18O6

Common Name	Protosappanin A Dimethyl Acetal
IUPAC Name	10,10-dimethoxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,14,15-triol
Canonical SMILES	COC1(OC)COc2cc(O)ccc2c2c(C1)cc(O)c(c2)O
Standard InCHI	InChI=1S/C17H18O6/c1-21-17(22-2)8-10-5-14(19)15(20)7-13(10)12-4-3-11(18)6-16(12)23-9-17/h3-7,18-20H,8-9H2,1-2H3
Standard InCHIKey	SVSDBMDJWUPWHK-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL2207726]; PubChem [11347693];
Reference of Component-Ingredient Pair	16079532

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC5176
Formula: C24H22O9

Common Name	Tetraacetylbrazilin
IUPAC Name	[(6aS,11bR)-6a,9,10-triacetyloxy-7,11b-dihydro-6H-indeno[2,1-c]chromen-3-yl] acetate
Canonical SMILES	CC(=O)Oc1ccc2c(c1)OC[C@]1([C@@H]2c2cc(OC(=O)C)c(cc2C1)OC(=O)C)OC(=O)C
Standard InCHI	InChI=1S/C24H22O9/c1-12(25)30-17-5-6-18-20(8-17)29-11-24(33-15(4)28)10-16-7-21(31-13(2)26)22(32-14(3)27)9-19(16)23(18)24/h5-9,23H,10-11H2,1-4H3/t23-,24+/m0/s1
Standard InCHIKey	QTWIUPRYNALMAA-BJKOFHAPSA-N
External Identifiers	ChEMBL [N/A]; PubChem [6918855];
Reference of Component-Ingredient Pair	16229119

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC4853
Formula: C12H10O4

Common Name	Sappanin
IUPAC Name	4-(2,4-dihydroxyphenyl)benzene-1,2-diol
Canonical SMILES	Oc1ccc(c(c1)O)c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C12H10O4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6,13-16H
Standard InCHIKey	GHPSCBAZRWEYJT-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5321124];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC4742
Formula: C16H14O5

Common Name	2'-Methoxy-3,4,4'-Trihydroxychalcone
IUPAC Name	(E)-3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)prop-2-en-1-one
Canonical SMILES	COc1cc(O)ccc1C(=O)/C=C/c1ccc(c(c1)O)O
Standard InCHI	InChI=1S/C16H14O5/c1-21-16-9-11(17)4-5-12(16)13(18)6-2-10-3-7-14(19)15(20)8-10/h2-9,17,19-20H,1H3/b6-2+
Standard InCHIKey	JVGNTXGHBHMJDO-QHHAFSJGSA-N
External Identifiers	ChEMBL [CHEMBL476986]; PubChem [5319493];
Reference of Component-Ingredient Pair	25760294

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC3472
Formula: C15H12O5

Common Name	Protosappanin A
IUPAC Name	5,14,15-trihydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one
Canonical SMILES	O=C1COc2cc(O)ccc2c2c(C1)cc(O)c(c2)O
Standard InCHI	InChI=1S/C15H12O5/c16-9-1-2-11-12-6-14(19)13(18)4-8(12)3-10(17)7-20-15(11)5-9/h1-2,4-6,16,18-19H,3,7H2
Standard InCHIKey	MUKYVRVYBBYJSI-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL447427]; PubChem [128001];
Reference of Component-Ingredient Pair	28991528

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC3247
Formula: C16H14O5

Common Name	Brasilin
IUPAC Name	(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol
Canonical SMILES	Oc1ccc2c(c1)OC[C@]1([C@@H]2c2cc(O)c(cc2C1)O)O
Standard InCHI	InChI=1S/C16H14O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,15,17-20H,6-7H2/t15-,16+/m0/s1
Standard InCHIKey	UWHUTZOCTZJUKC-JKSUJKDBSA-N
External Identifiers	ChEMBL [CHEMBL598951]; PubChem [73384];
Reference of Component-Ingredient Pair	9865384

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC3224
Formula: C28H58O

Common Name	1-Octacosanol,N-Octacosanol
IUPAC Name	octacosan-1-ol
Canonical SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Standard InCHI	InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
Standard InCHIKey	CNNRPFQICPFDPO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1951714]; PubChem [68406];
Reference of Component-Ingredient Pair	22448094

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH60	Ginkgo biloba	Bai Guo	ç™½æžœ
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	å·æœ¨é€š
TCMH1165	Murraya paniculata	Jiu Li Xiang	ä¹é‡Œé¦™
TCMH1609	Eupatorium fortunei	Pei Lan	ä½©å…°
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC2797
Formula: C21H30O6

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC(=O)[C@]1(C)CCC[C@]2(C1CC[C@@H]1[C@@H]2C[C@@]2(C(=CC(=O)O2)[C@@H]1C)O)CO
Standard InCHI	InChI=1S/C21H30O6/c1-12-13-5-6-16-19(2,18(24)26-3)7-4-8-20(16,11-22)15(13)10-21(25)14(12)9-17(23)27-21/h9,12-13,15-16,22,25H,4-8,10-11H2,1-3H3/t12-,13+,15+,16?,19-,20+,21-/m1/s1
Standard InCHIKey	ANVFGLCWJQWCRP-UZCOPHEHSA-N
External Identifiers	ChEMBL [CHEMBL3634147];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC2796
Formula: C22H30O8

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC1OC(O)C2([C@H]3C1(CCC2)[C@H]1C[C@@]2(O)OC(=O)C=C2[C@@H]([C@@H]1CC3)C)C(=O)OC
Standard InCHI	InChI=1S/C22H30O8/c1-11-12-5-6-15-20(14(12)10-22(26)13(11)9-16(23)30-22)7-4-8-21(15,17(24)27-2)18(25)29-19(20)28-3/h9,11-12,14-15,18-19,25-26H,4-8,10H2,1-3H3/t11-,12+,14+,15-,18?,19?,20?,21?,22-/m1/s1
Standard InCHIKey	GZUTZXLQXVQYME-QRSASCIISA-N
External Identifiers	ChEMBL [CHEMBL3634146];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC2795
Formula: C21H28O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	COC(=O)C12CCCC3([C@H]2CC[C@@H]2[C@@H]3C[C@@]3(C(=CC(=O)O3)[C@@H]2C)O)[C@@H](OC1)O
Standard InCHI	InChI=1S/C21H28O7/c1-11-12-4-5-15-19(17(23)26-2)6-3-7-20(15,18(24)27-10-19)14(12)9-21(25)13(11)8-16(22)28-21/h8,11-12,14-15,18,24-25H,3-7,9-10H2,1-2H3/t11-,12+,14+,15+,18-,19?,20?,21-/m1/s1
Standard InCHIKey	GDDUDRWZEHJWNE-ZAJDKGDJSA-N
External Identifiers	ChEMBL [CHEMBL3634145];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC2794
Formula: C23H32O7

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCO[C@@]12OC(=O)C=C2[C@@H]([C@H]2[C@H](C1)C13CCCC([C@@H]3CC2)(CO[C@H]1O)C(=O)OC)C
Standard InCHI	InChI=1S/C23H32O7/c1-4-29-23-11-16-14(13(2)15(23)10-18(24)30-23)6-7-17-21(19(25)27-3)8-5-9-22(16,17)20(26)28-12-21/h10,13-14,16-17,20,26H,4-9,11-12H2,1-3H3/t13-,14+,16+,17+,20-,21?,22?,23-/m1/s1
Standard InCHIKey	YYHHIADJWFSLJF-UAQXTFKHSA-N
External Identifiers	ChEMBL [CHEMBL3634139];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC1791
Formula: C17H14O7

Common Name	Ombuine
IUPAC Name	3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one
Canonical SMILES	COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)OC
Standard InCHI	InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3
Standard InCHIKey	BWORNNDZQGOKBY-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL75589]; PubChem [5320287];
Reference of Component-Ingredient Pair	24853321

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1073	Gynostemma pentaphyllum	Jiao Gu Lan	ç»žè‚¡è“
TCMH526	Eucommia ulmoides	Du Zhong Ye	æœä»²å¶
TCMH1804	Amomum villosum	Sha Ren Ye	ç ‚ä»å¶
TCMH1803	Amomum villosum	Sha Ren	ç ‚ä»
TCMH524	Eucommia ulmoides	Du Zhong	æœä»²
TCMH525	Eucommia ulmoides	Du Zhong Tan	æœä»²ç‚
TCMH519	Pogostemon cablin	Du Huo Xiang	æœè—¿é¦™
TCMH728	Pogostemon cablin	Guang Huo Xiang	å¹¿è—¿é¦™
TCMH1008	Pogostemon cablin	Huo Xiang	è—¿é¦™
TCMH1009	Pogostemon cablin	Huo Xiang Ye	è—¿é¦™å¶
TCMH2137	Pogostemon cablin	Tu Huo Xiang	åœŸè—¿é¦™
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC1717
Formula: C16H12O5

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	Oc1ccc2c(c1)OC[C@]1(C2=C2C=C(O)C(=O)C=C2C1)O
Standard InCHI	InChI=1S/C16H12O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,17,19-20H,6-7H2/t16-/m1/s1
Standard InCHIKey	MLWIYODOURBGPI-MRXNPFEDSA-N
External Identifiers	ChEMBL [CHEMBL1439718]; PubChem [N/A];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC1314
Formula: C16H14O6

Common Name	Hematoxylin
IUPAC Name	(6aS,11bR)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
Canonical SMILES	Oc1cc2C[C@@]3([C@H](c2cc1O)c1ccc(c(c1OC3)O)O)O
Standard InCHI	InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13-,16+/m0/s1
Standard InCHIKey	WZUVPPKBWHMQCE-XJKSGUPXSA-N
External Identifiers	ChEMBL [CHEMBL477197]; PubChem [442514];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨

Ingredient ID: TCMC1202
Formula: C7H6O5

Common Name	Gallic Acid
IUPAC Name	3,4,5-trihydroxybenzoic acid
Canonical SMILES	OC(=O)c1cc(O)c(c(c1)O)O
Standard InCHI	InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
Standard InCHIKey	LNTHITQWFMADLM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL288114]; PubChem [370];
Reference of Component-Ingredient Pair	23800587

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH86	Ampelopsis japonica	Bai Lian	ç™½è”¹
TCMH1862	Cornus officinalis	Shan Zhu Yu	å±±èŒ±è¸
TCMH1895	Rhodiola sacra	Sheng Di Hong Jing Tian	åœ£åœ°çº¢æ™¯å¤©
TCMH457	Euphorbia humifusa	Di Mian Cao	åœ°ç»µè‰
TCMH231	Litsea rotundifolia	Chai Pi Zhang	è±ºçš®æ¨Ÿ
TCMH1939	Combretum indicum	Shi Jun Zi Ren	ä½¿å›åä»
TCMH1865	Paeonia obovata	Shao Yao	èŠè¯
TCMH177	Polygonum aviculare	Bian Xu	è¹è“„
TCMH63	Lilium brownii	Bai He Liu Jin Gao	ç™¾åˆæµæµ¸è†
TCMH1348	Liquidambar formosana	Lu Lu Tong	è·¯è·¯é€š
TCMH143	Albizia julibrissin	Bei He Huan	åŒ—åˆæ¬¢
TCMH1165	Murraya paniculata	Jiu Li Xiang	ä¹é‡Œé¦™
TCMH123	Pteris semipinnata	Ban Bian Qi	åŠè¾¹æ——
TCMH1633	Taraxacum mongolicum	Pu Gong Ying Jin Gao	è’²å…¬è‹±æµ¸è†
TCMH865	Carthamus tinctorius	Hong Hua	çº¢èŠ±
TCMH120	Atractylodes macrocephala	Bai Zhu	ç™½æœ¯
TCMH568	Euphorbia hirta	Fei Yang Cao	é£žæ¨è‰
TCMH1796	Morus alba	Sang Shen Qing Gao	æ¡‘è‘šæ¸…è†
TCMH1505	Quercus infectoria	Mo Shi Zi	æ²¡é£Ÿå
TCMH463	Sanguisorba officinalis	Di Yu Tan	åœ°æ¦†ç‚
TCMH921	Polygonum cuspidatum	Hu Zhang	è™Žæ–
TCMH1538	Baphicacanthus cusia	Nan Ban Lan Gen Jin Gao Fen	å—æ¿è“æ ¹æµ¸è†ç²‰
TCMH1498	Ranunculus ternatus	Mao Zhao Cao	çŒ«çˆªè‰
TCMH1212	Melia azedarach	Ku Lian Zi	è‹¦æ¥å
TCMH571	Paeonia suffruticosa	Fen Dan Pi	ç²‰ä¸¹çš®
TCMH741	Fructus choerospondiatis	Guang Zao	å¹¿æž£
TCMH213	Boschniakia rossica	Cao Cong Rong	è‰è‹è“‰
TCMH700	Drynaria fortunei	Gu Sui Bu	éª¨ç¢Žè¡¥
TCMH827	Terminalia chebula	He Zi Rou	è¯ƒåè‚‰
TCMH1025	Loropetalum chinense	Ji Mu Ye Jin Gao	ç»§æœ¨å¶æµ¸è†
TCMH517	Angelica pubescens	Du Huo	ç‹¬æ´»
TCMH108	Perilla frutescens	Bai Su Zi	ç™½è‹å
TCMH1299	Ganoderma lucidum	Ling Zhi(1)	çµèŠ
TCMH428	Codonopsis pilosula	Dang Shen Qing Gao	å…šå‚æ¸…è†
TCMH1322	Solanum nigrum	Long Kui	é¾™è‘µ
TCMH1708	Polygonum bistorta	Quan Shen	æ‹³å‚
TCMH388	Ziziphus jujuba	Da Zao	å¤§æž£
TCMH685	Syzygium aromaticum	Gong Ding Xiang	å…¬ä¸é¦™
TCMH366	Rheum officinale	Da Huang Liu Jin Gao	å¤§é»„æµæµ¸è†
TCMH1601	Nelumbo nucifera	Ou Pian	è—•ç‰‡
TCMH37	Smilax china	Ba Qia	èè‘œ
TCMH1518	Chaenomeles sinensis	Mu Gua	æœ¨ç“œ
TCMH1966	Rehmannia glutinosa	Shu Di Huang	ç†Ÿåœ°é»„
TCMH1798	Morus alba	Sang Zhi	æ¡‘æž
TCMH670	Ligusticum sinense	Gao Ben	è—æœ¬
TCMH1033	Centella asiatica	Ji Xue Cao	ç§¯é›ªè‰
TCMH1958	Diospyros kaki	Shi Ye	æŸ¿å¶
TCMH1359	Pyrola calliantha	Lu Xian Cao	é¹¿è¡”è‰
TCMH970	Vitex negundo	Huang Jing Zi	é»„è†å
TCMH1090	Brassica juncea	Jie Zi	èŠ¥å
TCMH1121	Cardiospermum halicacabum	Jin Si Ku Lian	é‡‘ä¸è‹¦æ¥
TCMH759	Dimocarpus longan	Gui Yuan	æ¡‚åœ†
TCMH500	Benincasa hispida	Dong Gua Zi	å†¬ç“œå
TCMH1903	Zingiber officinale	Sheng Jiang	ç”Ÿå§œ
TCMH1448	Mangifera indica	Mang Guo Ye	èŠ’æžœå¶
TCMH559	Psidium guajava	Fan Shi Liu Ye	ç•ªçŸ³æ¦´å¶
TCMH1483	Tussilago farfara	Mi Kuan Dong Hua	èœœæ¬¾å†¬èŠ±
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	ç»œçŸ³è—¤
TCMH1135	Rosa laevigata	Jin Ying Zi Ti Qu Ye	é‡‘æ¨±åæå–æ¶²
TCMH1466	Rosa rugosa	Mei Gui Hua	çŽ«ç‘°èŠ±
TCMH1247	Geranium wilfordii	Lao Guan Cao	è€é¹³è‰
TCMH936	Platycarya strobilacea	Hua Xiang Shu Guo Xu	åŒ–é¦™æ ‘æžœåº
TCMH901	Saxifraga stolonifera	Hu Er Cao	è™Žè€³è‰
TCMH1184	Citrus reticulata	Ju Pi	æ©˜çš®
TCMH1686	Canarium album	Qing Guo Tan	é’æžœç‚
TCMH1965	Rheum palmatum	Shu Da Huang	ç†Ÿå¤§é»„
TCMH1437	Rhododendron dauricum	Man Shan Hong	æ»¡å±±çº¢
TCMH1714	Lonicera japonica	Ren Dong Teng	å¿å†¬è—¤
TCMH358	Areca catechu	Da Fu Zi	å¤§è…¹å
TCMH79	Sinapis alba	Bai Jie Zi	ç™½èŠ¥å
TCMH737	Crataegus pinnatifida	Guang Shan Zha	å¹¿å±±æ¥‚
TCMH1848	Crataegus pinnatifida	Shan Zha	å±±æ¥‚
TCMH1849	Crataegus pinnatifida	Shan Zha Chou Gao	å±±æ¥‚ç¨ è†
TCMH1852	Crataegus pinnatifida	Shan Zha Qing Gao	å±±æ¥‚æ¸…è†
TCMH1853	Crataegus pinnatifida	Shan Zha Tan	å±±æ¥‚ç‚
TCMH1175	Cornus officinalis	Jiu Yu Rou	é…’è¸è‚‰
TCMH62	Lilium brownii	Bai He	ç™¾åˆ
TCMH1127	Lonicera japonica	Jin Yin Hua	é‡‘é“¶èŠ±
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	é‡‘é“¶èŠ±æå–æ¶²
TCMH426	Codonopsis pilosula	Dang Shen	å…šå‚
TCMH498	Benincasa hispida	Dong Gua Pi	å†¬ç“œçš®
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH592	Liquidambar formosana	Feng Xiang Ye	æž«é¦™å¶
TCMH594	Liquidambar formosana	Feng Xiang Zhi Chou Gao	æž«é¦™è„‚ç¨ è†
TCMH310	Melia azedarach	Chuan Lian	å·æ¥
TCMH1211	Melia azedarach	Ku Lian Pi	è‹¦æ¥çš®
TCMH363	Rheum officinale	Da Huang	å¤§é»„
TCMH365	Rheum officinale	Da Huang Jin Gao	å¤§é»„æµ¸è†
TCMH1943	Punica granatum	Shi Liu	çŸ³æ¦´
TCMH1944	Punica granatum	Shi Liu Pi	çŸ³æ¦´çš®
TCMH1945	Punica granatum	Shi Liu Zi	çŸ³æ¦´å
TCMH258	Paeonia obovata	Chi Shao	èµ¤èŠ
TCMH279	Angelica pubescens	Chuan Du Huo	å·ç‹¬æ´»
TCMH1296	Ganoderma lucidum	Ling Zhi Jin Gao	çµèŠæµ¸è†
TCMH1178	Citrus reticulata	Ju He	æ©˜æ ¸
TCMH210	Terminalia chebula	Cang Qing Guo	è—é’æžœ
TCMH826	Terminalia chebula	He Zi	è¯ƒå
TCMH978	Taraxacum mongolicum	Huang Miao	é»„è‹—
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	è’²å…¬è‹±
TCMH462	Sanguisorba officinalis	Di Yu	åœ°æ¦†
TCMH935	Platycarya strobilacea	Hua Xiang Shu Guo	åŒ–é¦™æ ‘æžœ
TCMH1792	Morus alba	Sang Pi	æ¡‘çš®
TCMH1797	Morus alba	Sang Ye	æ¡‘å¶
TCMH1927	Diospyros kaki	Shi Di	æŸ¿è’‚
TCMH814	Nelumbo nucifera	He Geng	è·æ¢—
TCMH825	Nelumbo nucifera	He Ye	è·å¶
TCMH1275	Nelumbo nucifera	Lian Zi	èŽ²å
TCMH1276	Nelumbo nucifera	Lian Zi Xin	èŽ²åå¿ƒ
TCMH1598	Nelumbo nucifera	Ou	è—•
TCMH1599	Nelumbo nucifera	Ou Fen	è—•ç²‰
TCMH182	Areca catechu	Bing Lang	æ§Ÿæ¦”
TCMH486	Syzygium aromaticum	Ding Xiang	ä¸é¦™
TCMH650	Canarium album	Gan Lan	æ©„æ¦„
TCMH1683	Canarium album	Qing Guo	é’æžœ
TCMH1537	Baphicacanthus cusia	Nan Ban Lan Gen	å—æ¿è“æ ¹
TCMH1223	Tussilago farfara	Kuan Dong Hua	æ¬¾å†¬èŠ±
TCMH454	Euphorbia humifusa	Di Jin Cao	åœ°é”¦è‰
TCMH1794	Morus alba	Sang Shen	æ¡‘è‘š
TCMH1795	Morus alba	Sang Shen Jin Gao	æ¡‘è‘šæµ¸è†
TCMH628	Glycyrrhiza uralensis	Gan Cao	ç”˜è‰
TCMH629	Glycyrrhiza uralensis	Gan Cao Fen	ç”˜è‰ç²‰
TCMH630	Glycyrrhiza uralensis	Gan Cao Gan Gao	ç”˜è‰å¹²è†
TCMH631	Glycyrrhiza uralensis	Gan Cao Gan Gao Fen	ç”˜è‰å¹²è†ç²‰
TCMH632	Glycyrrhiza uralensis	Gan Cao Gan Jin Gao	ç”˜è‰å¹²æµ¸è†
TCMH633	Glycyrrhiza uralensis	Gan Cao Gao	ç”˜è‰è†
TCMH634	Glycyrrhiza uralensis	Gan Cao Jie	ç”˜è‰èŠ‚
TCMH635	Glycyrrhiza uralensis	Gan Cao Jin Gao	ç”˜è‰æµ¸è†
TCMH636	Glycyrrhiza uralensis	Gan Cao Liu Jin Gao	ç”˜è‰æµæµ¸è†
TCMH1475	Glycyrrhiza uralensis	Mi Gan Cao	èœœç”˜è‰
TCMH1899	Glycyrrhiza uralensis	Sheng Gan Cao	ç”Ÿç”˜è‰
TCMH1133	Rosa laevigata	Jin Ying Zi	é‡‘æ¨±å
TCMH1134	Rosa laevigata	Jin Ying Zi Rou	é‡‘æ¨±åè‚‰
TCMH8	Rehmannia glutinosa	Ai Di Huang	çŸ®åœ°é»„
TCMH451	Rehmannia glutinosa	Di Huang	åœ°é»„
TCMH453	Rehmannia glutinosa	Di Huang Tan	åœ°é»„ç‚
TCMH643	Rehmannia glutinosa	Gan Di Huang	å¹²åœ°é»„
TCMH1856	Gardenia jasminoides	Shan Zhi	å±±æ €
TCMH2130	Rumex obtusifolius	Tu Da Huang	åœŸå¤§é»„
TCMH2133	Syneilesis palmata	Tu Er San	å…”å„¿ä¼ž
TCMH2253	Agrimonia pilosa var. japonica	Xian He Cao Jin Gao Fen	ä»™é¹¤è‰æµ¸è†ç²‰
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	æ €åæµ¸è†
TCMH2715	Ardisia japonica	Zi Jin Niu	ç´«é‡‘ç‰›
TCMH2375	Trigonella foenum-graecum	Yan Hu Lu Ba	ç›èƒ¡èŠ¦å·´
TCMH2435	Myrica rubra	Yang Mei Gen	æ¨æ¢…æ ¹
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2050	Punica granatum	Suan Shi Liu	é…¸çŸ³æ¦´
TCMH2087	Grangea maderaspatana	Tian Ji Huang	ç”°åŸºé»„
TCMH2462	Crataegus pinnatifida	Ye Shan Zha	é‡Žå±±æ¥‚
TCMH2353	Lespedeza bicolor	Xue Ren Shen	è¡€äººå‚
TCMH2286	Berberis julianae	Xiao Bo Gen	å°æª—æ ¹
TCMH2360	Brucea javanica	Ya Dan Zi	é¸¦èƒ†å
TCMH2740	Trachycarpus fortunei	Zong Lv Zi	æ£•æ¦ˆå
TCMH2056	Cynomorium songaricum	Suo Yang	é”é˜³
TCMH2278	Abrus precatorius	Xiang Si Zi	ç›¸æ€å
TCMH2044	Caesalpinia sappan	Su Mu	è‹æœ¨
TCMH2607	Phyllanthus urinaria	Zhen Zhu Cao	çç è‰
TCMH2373	Rhus chinensis	Yan Fu Mu	ç›è‚¤æœ¨
TCMH2558	Rosa chinensis	Yue Ji Hua	æœˆå£èŠ±
TCMH2165	Potentilla chinensis	Wei Ling Cai	å§”é™µèœ
TCMH2135	Glycyrrhiza uralensis	Tu Gan Cao	åœŸç”˜è‰
TCMH2175	Galla chinensis	Wu Bei Zi	äº”å€å
TCMH2733	Trachycarpus fortunei	Zong Ban	æ£•æ¿
TCMH2734	Trachycarpus fortunei	Zong Ban Tan	æ£•æ¿ç‚
TCMH2738	Trachycarpus fortunei	Zong Lv Pi	æ£•æ¦ˆçš®
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	ä»™é¹¤è‰
TCMH2465	Phyllanthus urinaria	Ye Xia Zhu	å¶ä¸‹ç
TCMH2277	Abrus precatorius	Xiang Si Teng	ç›¸æ€è—¤
TCMH2641	Gardenia jasminoides	Zhi Zi	æ €å

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC581	C16H14O5	7,11B-Dihydro-6H-Indeno[2,1-C]Chromene-3,6A,9,10-Tetrol	286.08	-1.9489	2.67	1.037	1	4	90.15	4	4	21	0
TCMC1202	C7H6O5	Gallic Acid	170.02	-1.6207	1.68	0.002	2	4	97.99	5	1	12	0
TCMC1314	C16H14O6	Hematoxylin	302.08	-2.4092	2.56	0.503	1	5	110.38	5	4	22	0
TCMC1717	C16H12O5		284.07	-1.1438	2.67	0.153	3	3	86.99	3	4	21	0
TCMC1791	C17H14O7	Ombuine	330.07	-1.9842	2.56	1.99	2	3	105.45	8	3	24	0
TCMC2794	C23H32O7		420.21	-0.6403	3.22	2.489	7	1	91.29	8	5	30	0
TCMC2795	C21H28O7		392.18	-1.2992	3	1.547	7	2	102.29	6	5	28	0
TCMC2796	C22H30O8		422.19	-1.2304	3	1.96	8	2	111.52	8	5	30	0
TCMC2797	C21H30O6		378.2	-0.6353	3.11	2.196	6	2	93.06	8	4	27	0
TCMC3224	C28H58O	1-Octacosanol,N-Octacosanol	410.4487665	-7.8854	4.43	14.507	1	1	20.23	26	0	29	2
TCMC3247	C16H14O5	Brasilin	286.0841235	-1.9489	2.67	1.037	1	4	90.15	0	4	21	0
TCMC3472	C15H12O5	Protosappanin A	272.0684735	-1.9658	2.56	0.812	1	3	86.99	0	3	20	0
TCMC4742	C16H14O5	2'-Methoxy-3,4,4'-Trihydroxychalcone	286.0841235	-1.3354	2.67	2.109	1	3	86.99	4	2	21	0
TCMC4853	C12H10O4	Sappanin	218.0579088	-1.8412	2.34	1.337	0	4	80.92	1	2	16	0
TCMC5176	C24H22O9	Tetraacetylbrazilin	454.1263823	-0.4325	3.11	3.568	5	0	114.43	8	4	33	0
TCMC5678	C17H18O6	Protosappanin A Dimethyl Acetal	318.1103383	-1.5446	2.67	1.481	2	3	88.38	2	3	23	0
TCMC5681	C32H26O10	Neoprotosappanin	570.152597	-4.2205	3.88	1.427	2	8	180.3	1	8	42	1
TCMC6013	C17H18O6	3'-O-Methyl Sappanol	318.1103383	-2.0496	2.67	1.173	2	4	99.38	3	3	23	0
TCMC6014	C17H18O6	3'-O-Methyl Episappanol	318.1103383	-2.0496	2.67	1.173	2	4	99.38	3	3	23	0
TCMC6015	C17H16O5	3'-O-Methylbrazilin	300.0997736	-1.5404	2.78	1.127	1	3	79.15	1	4	22	0
TCMC6016	C16H16O6	Sappanol	304.0946882	-2.4581	2.56	1.083	2	5	110.38	2	3	22	0
TCMC6017	C16H16O5	3'-Deoxysappanol	288.0997736	-1.9978	2.67	1.617	2	4	90.15	2	3	21	0
TCMC6018	C16H16O6	Protosappanin B	304.0946882	-2.3961	2.56	0.306	2	5	110.38	1	3	22	0
TCMC6019	C16H14O6	Protosappanin C	302.0790382	-2.1398	2.56	0.57	2	4	107.22	1	3	22	0
TCMC6020	C18H20O7	Protosappanin C Dimethyl Acetal	348.120903	-1.9188	2.67	0.809	3	4	108.61	3	3	25	0
TCMC6032	C17H18O6	4-O-Methyl Sappanol	318.1103383	-2.0496	2.67	1.173	2	4	99.38	3	3	23	0
TCMC6033	C17H18O6	4-O-Methyl Episappanol	318.1103383	-2.0496	2.67	1.173	2	4	99.38	3	3	23	0
TCMC6034	C16H14O6	Sappanone B	302.0790382	-2.2112	2.56	0.999	2	4	107.22	2	3	22	0
TCMC6181	C32H26O11	Protosappanin E1	586.1475117	-3.8954	3.77	1.934	3	7	178.53	1	8	43	1
TCMC6182	C32H26O11	Protosappanin E2	586.1475117	-3.8954	3.77	1.934	3	7	178.53	1	8	43	1
TCMC6694	C16H12O4	7-Hydroxy-3-(4'-Hydroxybenzylidene)-Chroman-4-One	268.0735589	-1.0547	2.78	2.497	1	2	66.76	1	3	20	0
TCMC6973	C16H14O5	3-Deoxysappanone B	286.0841235	-1.6107	2.67	1.517	1	3	86.99	2	3	21	0
TCMC7321	C17H18O6	10-O-Methyl Protosappanin B	318.1103383	-1.9876	2.67	0.396	2	4	99.38	2	3	23	0

Download Data

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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: Caesalpinia sappan è‹æœ¨

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: TCMC7321

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6973

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6694

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6182

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6181

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6034

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6033

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6032

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6020

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6019

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6018

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6017

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6016

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6015

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6014

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6013

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC581

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5681

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5678

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5176

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4853

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4742

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3472

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3247

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3224

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2797

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2796

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2795

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2794

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1791

Component: Caesalpinia sappan è‹æœ¨