TCM-ID Component

Description of the Component

Component ID	TCMH1533
Latin Name	Saussurea lappa
English Name	Common aucklandia
Chinese Pinyin Name	Mu Xiang
中文名	木香
TCM Properties	Warm,Pungent,Bitter
TCM Meridians	Spleen,Large Intestine,Stomach,Gallbladder,Three End
Therapeutic Class English	Regulation of qi
Therapeutic Class Chinese	理气
Functions	relieve pain by promoting the flow of qi, and improve digestion by reinforcing the spleen function
Toxicity	NA
Geo-authentic habitats (道地产区)	Yunnan Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT126	TERT	Telomerase reverse transcriptase	Transferase	O14746
TCMT193	RELA	Nuclear factor NF-kappa-B p65 subunit	Transcription factor	Q04206
TCMT3	ALOX15	Arachidonate 15-lipoxygenase	Oxidoreductase	P16050
TCMT82	ESR1	Estrogen receptor alpha	Nuclear receptor	P03372

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1218	Staphylococcus aureus
TCMT1219	Enterococcus
TCMT1229	Enterococcus faecalis
TCMT1251	Candida albicans
TCMT1463	Mycobacterium tuberculosis

Ingredient Structrues

Ingredient ID: TCMC946
Formula: C15H20O2

Common Name	Costunolide
IUPAC Name	(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Canonical SMILES	C/C/1=C[C@H]2OC(=O)C(=C)[C@@H]2CC/C(=C/CC1)/C
Standard InCHI	InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1
Standard InCHIKey	HRYLQFBHBWLLLL-AHNJNIBGSA-N
External Identifiers	ChEMBL [CHEMBL86416]; PubChem [5281437];
Reference of Component-Ingredient Pair	16140536

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1508	Commiphora myrrha	Mo Yao	没药
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2538	Zea mays	Yu Mi Xu	玉米须
TCMH1507	Commiphora myrrha	Mo Xiang	没香

Ingredient ID: TCMC6704
Formula: C15H26O2

Common Name	4Α-Hydroxy-4Β-Methyldihydrocostol
IUPAC Name	(1R,4aR,7R,8aR)-7-(3-hydroxyprop-1-en-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Canonical SMILES	OCC(=C)[C@@H]1CC[C@@]2([C@@H](C1)[C@](C)(O)CCC2)C
Standard InCHI	InChI=1S/C15H26O2/c1-11(10-16)12-5-8-14(2)6-4-7-15(3,17)13(14)9-12/h12-13,16-17H,1,4-10H2,2-3H3/t12-,13-,14-,15-/m1/s1
Standard InCHIKey	RMARCXQAHOJNRB-KBUPBQIOSA-N
External Identifiers	ChEMBL [CHEMBL456866]; PubChem [44559657];
Reference of Component-Ingredient Pair	23847074

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC6703
Formula: C15H20O3

Common Name	11Β,13-Dihydro-3-Epizaluzanin C
IUPAC Name	(3S,3aS,6aR,8R,9aR,9bS)-8-hydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
Canonical SMILES	C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1C[C@H](C3=C)O)OC(=O)[C@H]2C
Standard InCHI	InChI=1S/C15H20O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h8,10-14,16H,1,3-6H2,2H3/t8-,10-,11-,12+,13-,14-/m0/s1
Standard InCHIKey	DOTNUPYMOWSLMW-WWTHEZKUSA-N
External Identifiers	ChEMBL [CHEMBL518008]; PubChem [44559655];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC6631
Formula: C15H22O2

Common Name	Germacra-1(10),4,11(13)-Trien-12-Oic Acid
IUPAC Name	2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
Canonical SMILES	C/C/1=CC[C@@H](CC/C(=C/CC1)/C)C(=C)C(=O)[O-]
Standard InCHI	InChI=1S/C15H22O2/c1-11-5-4-6-12(2)8-10-14(9-7-11)13(3)15(16)17/h5,8,14H,3-4,6-7,9-10H2,1-2H3,(H,16,17)/p-1/b11-5+,12-8+/t14-/m1/s1
Standard InCHIKey	IBJVPIJUFFVDBS-JBMXZMKISA-M
External Identifiers	ChEMBL [N/A]; PubChem [25245825];
Reference of Component-Ingredient Pair	20351109

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC6629
Formula: C15H22O

Common Name	Germacra-1(10),4,11(13)-Trien-12-Al
IUPAC Name	2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enal
Canonical SMILES	O=CC(=C)[C@H]1C/C=C(C)/CC/C=C(/CC1)C
Standard InCHI	InChI=1S/C15H22O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,11,15H,3-4,6-7,9-10H2,1-2H3/b12-5+,13-8+/t15-/m1/s1
Standard InCHIKey	AXUADEXBLHHYAJ-KGSGWQTPSA-N
External Identifiers	ChEMBL [N/A]; PubChem [25245391];
Reference of Component-Ingredient Pair	11557081

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC6628
Formula: C15H24O

Common Name	Germacra-1(10),4,11(13)-Trien-12-Ol
IUPAC Name	2-[(1R,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-en-1-ol
Canonical SMILES	OCC(=C)[C@H]1C/C=C(C)/CC/C=C(/CC1)C
Standard InCHI	InChI=1S/C15H24O/c1-12-5-4-6-13(2)8-10-15(9-7-12)14(3)11-16/h5,8,15-16H,3-4,6-7,9-11H2,1-2H3/b12-5+,13-8+/t15-/m1/s1
Standard InCHIKey	NDZJCEAHBZKIDU-KGSGWQTPSA-N
External Identifiers	ChEMBL [N/A]; PubChem [25245123];
Reference of Component-Ingredient Pair	11557081

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC6375
Formula: C48H84O2

Common Name	Α-Amyrin Stearate
IUPAC Name	[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] octadecanoate
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@H](C)CC1)C)C)C
Standard InCHI	InChI=1S/C48H84O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42(49)50-41-30-32-46(7)39(44(41,4)5)29-33-48(9)40(46)27-26-38-43-37(3)36(2)28-31-45(43,6)34-35-47(38,48)8/h26,36-37,39-41,43H,10-25,27-35H2,1-9H3/t36-,37+,39+,40-,41+,43+,45-,46+,47-,48-/m1/s1
Standard InCHIKey	YZNKJAIYHYWQAA-VYGXFWHYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21159082];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC6041
Formula: C46H80O2

Common Name	Β-Amyrin Palmitate
IUPAC Name	[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C
Standard InCHI	InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37-,38+,39-,43+,44-,45+,46+/m0/s1
Standard InCHIKey	VFSRKCNYYCXRGI-JWDOTDQPSA-N
External Identifiers	ChEMBL [CHEMBL455449]; PubChem [13915599];
Reference of Component-Ingredient Pair	12776331

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5917
Formula: C15H24

Common Name	Β-Selinene
IUPAC Name	(3R,4aR,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
Canonical SMILES	C=C1CCC[C@]2([C@@H]1C[C@@H](CC2)C(=C)C)C
Standard InCHI	InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h13-14H,1,3,5-10H2,2,4H3/t13-,14-,15-/m1/s1
Standard InCHIKey	YOVSPTNQHMDJAG-RBSFLKMASA-N
External Identifiers	ChEMBL [N/A]; PubChem [12309812];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子

Ingredient ID: TCMC5889
Formula: C15H24O

Common Name	Costol
IUPAC Name	2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-en-1-ol
Canonical SMILES	OCC(=C)[C@@H]1CC[C@@]2([C@@H](C1)C(=C)CCC2)C
Standard InCHI	InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h13-14,16H,1-2,4-10H2,3H3/t13-,14+,15-/m1/s1
Standard InCHIKey	FKWGZOFNSIESOX-QLFBSQMISA-N
External Identifiers	ChEMBL [N/A]; PubChem [12304105];
Reference of Component-Ingredient Pair	11557081

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5717
Formula: C15H22O6S

Common Name	13-Sulfo-Dihydrosantamarine
IUPAC Name	[(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-2-oxo-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-3-yl]methanesulfonic acid
Canonical SMILES	O=C1O[C@H]2[C@H]([C@@H]1CS(=O)(=O)[O-])CC[C@@]1([C@@H]2C(=CC[C@H]1O)C)C
Standard InCHI	InChI=1S/C15H22O6S/c1-8-3-4-11(16)15(2)6-5-9-10(7-22(18,19)20)14(17)21-13(9)12(8)15/h3,9-13,16H,4-7H2,1-2H3,(H,18,19,20)/p-1/t9-,10-,11+,12+,13-,15-/m0/s1
Standard InCHIKey	MXDYUQKBEOVZSA-DMLGPZFASA-M
External Identifiers	ChEMBL [N/A]; PubChem [11484317];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5624
Formula: C15H22O6S

Common Name	13-Sulfo-Dihydroreynosin
IUPAC Name	[(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-9-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-3-yl]methanesulfonic acid
Canonical SMILES	C=C1CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)[C@H]([C@@H]1CC2)CS(=O)(=O)[O-])C)O
Standard InCHI	InChI=1S/C15H22O6S/c1-8-3-4-11(16)15(2)6-5-9-10(7-22(18,19)20)14(17)21-13(9)12(8)15/h9-13,16H,1,3-7H2,2H3,(H,18,19,20)/p-1/t9-,10-,11+,12+,13-,15-/m0/s1
Standard InCHIKey	ATPWMNVNRJVOBH-DMLGPZFASA-M
External Identifiers	ChEMBL [N/A]; PubChem [11198301];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5583
Formula: C30H38O6

Common Name	Lappadilactone
IUPAC Name	(3aS,5aR,9S,9aS,9bS)-9-[[(3R,3aR,6aR,9aR,9bR)-3-hydroxy-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-3-yl]methyl]-5a,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2,6-dione
Canonical SMILES	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@@](C)(CCC1=O)C[C@]1(O)C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1)C
Standard InCHI	InChI=1S/C30H38O6/c1-15-7-9-20-24(22-16(2)6-8-18(15)22)36-27(33)30(20,34)14-28(4)12-11-21(31)29(5)13-10-19-17(3)26(32)35-23(19)25(28)29/h18-20,22-25,34H,1-3,6-14H2,4-5H3/t18-,19-,20+,22-,23-,24-,25-,28-,29-,30+/m0/s1
Standard InCHIKey	DLIISCBVNDNVDV-CSRVTHLVSA-N
External Identifiers	ChEMBL [CHEMBL502902]; PubChem [11081540];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5554
Formula: C17H22O4

Common Name	Lappalone
IUPAC Name	(3R,3aR,6aR,9aR,9bR)-3-hydroxy-6,9-dimethylidene-3-(2-oxopropyl)-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Canonical SMILES	CC(=O)C[C@]1(O)C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1
Standard InCHI	InChI=1S/C17H22O4/c1-9-5-7-13-15(14-10(2)4-6-12(9)14)21-16(19)17(13,20)8-11(3)18/h12-15,20H,1-2,4-8H2,3H3/t12-,13+,14-,15-,17+/m0/s1
Standard InCHIKey	JPMPVNCPOBTSBR-CEEVZKBLSA-N
External Identifiers	ChEMBL [CHEMBL518009]; PubChem [10979139];
Reference of Component-Ingredient Pair	24892388

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5537
Formula: C15H18O2

Common Name	Isodehydrocostus Lactone
IUPAC Name	(3aS,6aR,9aR,9bS)-9-methyl-3,6-dimethylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
Canonical SMILES	CC1=CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C
Standard InCHI	InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5,11-14H,1,3-4,6-7H2,2H3/t11-,12-,13-,14-/m0/s1
Standard InCHIKey	HOKNRQOXIXGZDY-XUXIUFHCSA-N
External Identifiers	ChEMBL [CHEMBL451971]; PubChem [10933292];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5534
Formula: C17H26O4

Common Name	1Β,6Α-Dihydroxycostic Acid Ethyl Ester
IUPAC Name	ethyl 2-[(1S,2S,4aR,5R,8aS)-1,5-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
Canonical SMILES	C[C@@]12CC[C@H]([C@@H]([C@H]1C(=C)CC[C@H]2O)O)C(=C)C(=O)OCC
Standard InCHI	InChI=1S/C17H26O4/c1-5-21-16(20)11(3)12-8-9-17(4)13(18)7-6-10(2)14(17)15(12)19/h12-15,18-19H,2-3,5-9H2,1,4H3/t12-,13+,14+,15-,17-/m0/s1
Standard InCHIKey	FIFQGYSWRXETDB-CLBVLKOUSA-N
External Identifiers	ChEMBL [CHEMBL511166]; PubChem [10924365];
Reference of Component-Ingredient Pair	14510592

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5404
Formula: C20H29NO4

Common Name	Saussureamine A
IUPAC Name	(2S)-1-[[(3R,3aS,6E,10E,11aS)-6,10-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid
Canonical SMILES	C/C/1=CCC/C(=C/[C@@H]2[C@@H](CC1)[C@H](C[NH+]1CCC[C@H]1C(=O)[O-])C(=O)O2)/C
Standard InCHI	InChI=1S/C20H29NO4/c1-13-5-3-6-14(2)11-18-15(9-8-13)16(20(24)25-18)12-21-10-4-7-17(21)19(22)23/h5,11,15-18H,3-4,6-10,12H2,1-2H3,(H,22,23)/b13-5+,14-11+/t15-,16-,17-,18+/m0/s1
Standard InCHIKey	PTMPZOZMKYWVLH-VJLLHIAYSA-N
External Identifiers	ChEMBL [CHEMBL3220828]; PubChem [10427798];
Reference of Component-Ingredient Pair	8448819

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5367
Formula: C20H27NO4

Common Name	Saussureamine B
IUPAC Name	(2S)-1-[[(3R,3aS,6aR,9aR,9bS)-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-3-yl]methyl]pyrrolidine-2-carboxylic acid
Canonical SMILES	O=C1O[C@H]2[C@H]([C@@H]1C[NH+]1CCC[C@H]1C(=O)[O-])CCC(=C)[C@H]1[C@@H]2C(=C)CC1
Standard InCHI	InChI=1S/C20H27NO4/c1-11-5-8-14-15(10-21-9-3-4-16(21)19(22)23)20(24)25-18(14)17-12(2)6-7-13(11)17/h13-18H,1-10H2,(H,22,23)/t13-,14-,15-,16-,17-,18-/m0/s1
Standard InCHIKey	XXYMNUOJMDOHBS-QQCJEOGWSA-N
External Identifiers	ChEMBL [CHEMBL3220829]; PubChem [10360205];
Reference of Component-Ingredient Pair	US2016082123

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5214
Formula: C15H24

Common Name	(+)-Germacrene A1
IUPAC Name	(1E,5E,8R)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene
Canonical SMILES	C/C/1=CCC/C(=C/C[C@@H](CC1)C(=C)C)/C
Standard InCHI	InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6+,14-9+/t15-/m1/s1
Standard InCHIKey	XMRKUJJDDKYUHV-DFSVIBJJSA-N
External Identifiers	ChEMBL [N/A]; PubChem [9548705];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5175
Formula: C15H24

Common Name	Beta-Elemene,Β-Elemene
IUPAC Name	(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
Canonical SMILES	C=C[C@]1(C)CC[C@H](C[C@H]1C(=C)C)C(=C)C
Standard InCHI	InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
Standard InCHIKey	OPFTUNCRGUEPRZ-QLFBSQMISA-N
External Identifiers	ChEMBL [CHEMBL448502]; PubChem [6918391];
Reference of Component-Ingredient Pair	23397083

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH502	Rabdosia rubescens	Dong Ling Cao	冬凌草
TCMH517	Angelica pubescens	Du Huo	独活
TCMH183	Dryobalanops aromatica	Bing Pian	冰片
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子

Ingredient ID: TCMC5172
Formula: C15H22O2

Common Name	11Β,13-Dihydrocostunolide
IUPAC Name	(3S,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
Canonical SMILES	C/C/1=C[C@H]2OC(=O)[C@H]([C@@H]2CC/C(=C/CC1)/C)C
Standard InCHI	InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,12-14H,4,6-8H2,1-3H3/b10-5+,11-9+/t12-,13-,14+/m0/s1
Standard InCHIKey	OVDMFKGCVWVONO-BSTGVKIKSA-N
External Identifiers	ChEMBL [CHEMBL499003]; PubChem [6917068];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC5134
Formula: C15H22O2

Common Name	Costic Acid
IUPAC Name	2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Canonical SMILES	C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C(=O)[O-])C
Standard InCHI	InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)/p-1/t12-,13+,15-/m1/s1
Standard InCHIKey	UJQGVDNQDFTTLZ-VNHYZAJKSA-M
External Identifiers	ChEMBL [CHEMBL486398]; PubChem [6451579];
Reference of Component-Ingredient Pair	28676273

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC4667
Formula: C14H24O

Common Name	(E)-9-Isopropyl-6-Methyl-5,9-Decadiene-2-One
IUPAC Name	(E)-6,10-dimethyl-9-methylideneundec-5-en-2-one
Canonical SMILES	CC(=O)CC/C=C(/CCC(=C)C(C)C)C
Standard InCHI	InChI=1S/C14H24O/c1-11(2)13(4)10-9-12(3)7-6-8-14(5)15/h7,11H,4,6,8-10H2,1-3,5H3/b12-7+
Standard InCHIKey	GVHYGHSXSIDTDI-KPKJPENVSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5318635];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC4393
Formula: C12H22O2

Common Name	Linderic Acid
IUPAC Name	(E)-dodec-4-enoic acid
Canonical SMILES	CCCCCCC/C=C/CCC(=O)[O-]
Standard InCHI	InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-9H,2-7,10-11H2,1H3,(H,13,14)/p-1/b9-8+
Standard InCHIKey	GCORITRBZMICMI-CMDGGOBGSA-M
External Identifiers	ChEMBL [N/A]; PubChem [5282730];
Reference of Component-Ingredient Pair	17805664

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC4378
Formula: C20H16O6

Common Name	Savinin
IUPAC Name	(3E,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one
Canonical SMILES	O=C1OC[C@@H](/C/1=Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
Standard InCHI	InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6+/t14-/m0/s1
Standard InCHIKey	CMJGAYUQSLJSCR-ULIPXBITSA-N
External Identifiers	ChEMBL [CHEMBL395263]; PubChem [5281867];
Reference of Component-Ingredient Pair	27714269

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC4324
Formula: C29H48O

Common Name	Stigmasterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC[C@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey	HCXVJBMSMIARIN-KEJCWXRGSA-N
External Identifiers	ChEMBL [CHEMBL400247]; PubChem [5281330];
Reference of Component-Ingredient Pair	24242815

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH389	Gleditsiae sinensis fructus	Da Zao Jiao	大皂角
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH536	Centipeda minima	E Bu Shi Cao	鹅不食草
TCMH206	Fructus xanthii sibirici	Cang Er Zi	苍耳子
TCMH62	Lilium brownii	Bai He	百合
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH90	Imperata cylindrica	Bai Mao Gen	白茅根
TCMH241	Plantago asiatica	Che Qian Zi	车前子
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH449	Cortex lycii radicis	Di Gu Pi	地骨皮
TCMH370	Herba cirsii japonici	Da Ji(1)	大蓟
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH700	Drynaria fortunei	Gu Sui Bu	骨碎补
TCMH776	Piper kadsura	Hai Feng Teng	海风藤
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	络石藤
TCMH834	Semen glycine max	Hei Dou	黑豆
TCMH986	Scutellaria baicalensis	Huang Qin	黄芩
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1499	Changium smyrnioides	Ming Dang Shen	明党参
TCMH1423	Ophiopogon japonicus	Mai Dong	麦冬
TCMH1845	Dioscorea batatas	Shan Yao	山药
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1680	Sinomenium acutum	Qing Feng Teng	青风藤
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH2238	Siegesbeckiae herba	Xi Xian Cao	豨莶草
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH2295	fructus foeniculi	Xiao Hui Xiang	小茴香
TCMH2297	Cirsium setosum	Xiao Ji	小蓟

Ingredient ID: TCMC4106
Formula: C13H20O

Common Name	Β-Ionone
IUPAC Name	(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
Canonical SMILES	CC(=O)/C=C/C1=C(C)CCCC1(C)C
Standard InCHI	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
Standard InCHIKey	PSQYTAPXSHCGMF-BQYQJAHWSA-N
External Identifiers	ChEMBL [CHEMBL559945]; PubChem [638014];
Reference of Component-Ingredient Pair	7739729

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1219	Semen armeniacae amarum	Ku Xing Ren	苦杏仁

Ingredient ID: TCMC4105
Formula: C13H20O

Common Name	Α-Ionone
IUPAC Name	(E)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-one
Canonical SMILES	CC(=O)/C=C/[C@@H]1C(=CCCC1(C)C)C
Standard InCHI	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m1/s1
Standard InCHIKey	UZFLPKAIBPNNCA-ABZNLYFFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [638013];
Reference of Component-Ingredient Pair	27154347

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC3984
Formula: C15H20O3

Common Name	Reynosin
IUPAC Name	(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Canonical SMILES	C=C1CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C)O
Standard InCHI	InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12+,13-,15-/m0/s1
Standard InCHIKey	FKBUODICGDOIGB-PFFFPCNUSA-N
External Identifiers	ChEMBL [CHEMBL272178]; PubChem [482788];
Reference of Component-Ingredient Pair	11731906

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC3968
Formula: C15H18O3

Common Name	3-Epizaluzanin C
IUPAC Name	(3aS,6aR,8R,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Canonical SMILES	O[C@@H]1C[C@@H]2[C@H](C1=C)[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C
Standard InCHI	InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12+,13-,14-/m0/s1
Standard InCHIKey	XFVLNEYIZGZDHP-HPCHECBXSA-N
External Identifiers	ChEMBL [CHEMBL461700]; PubChem [470970];
Reference of Component-Ingredient Pair	23522933

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC3966
Formula: C29H50O

Common Name	Sitosterol,Β-Sitosterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
Standard InCHI	InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
Standard InCHIKey	KZJWDPNRJALLNS-FBZNIEFRSA-N
External Identifiers	ChEMBL [CHEMBL221542]; PubChem [457801];
Reference of Component-Ingredient Pair	23115546

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH29	Croton tiglium	Ba Dou Shuang	巴豆霜
TCMH389	Gleditsiae sinensis fructus	Da Zao Jiao	大皂角
TCMH224	Thuja orientalis	Ce Bai Ye	侧柏叶
TCMH381	Isatis indigotica	Da Qing Ye	大青叶
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH287	Clematidis armandii caulis	Chuan Mu Tong	川木通
TCMH407	Salvia miltiorrhiza	Dan Shen	丹参
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH28	Croton tiglium	Ba Dou	巴豆
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH294	Rhizoma dioscoreae nipponicae	Chuan Shan Long	穿山龙
TCMH121	Biota orientalis	Bai Zi Ren	柏子仁
TCMH241	Plantago asiatica	Che Qian Zi	车前子
TCMH524	Eucommia ulmoides	Du Zhong	杜仲
TCMH127	Isatis indigotica	Ban Lan Gen	板蓝根
TCMH562	Saposhnikovia divaricata	Fang Feng	防风
TCMH327	Eleutherococcus senticosus	Ci Wu Jia	刺五加
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH370	Herba cirsii japonici	Da Ji(1)	大蓟
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH31	Morinda officinalis	Ba Ji Tian	巴戟天
TCMH385	Sargentodoxa cuneata	Da Xue Teng	大血藤
TCMH273	Fritillaria cirrhosa	Chuan Bei Mu	川贝母
TCMH677	Pueraria lobata	Ge Gen	葛根
TCMH388	Ziziphus jujuba	Da Zao	大枣
TCMH949	Phellodendron amurense	Huang Bai	黄柏
TCMH1186	Lycium chinense	Gou Qi Zi	枸杞子
TCMH628	Glycyrrhiza uralensis	Gan Cao	甘草
TCMH700	Drynaria fortunei	Gu Sui Bu	骨碎补
TCMH776	Piper kadsura	Hai Feng Teng	海风藤
TCMH819	Polygonum multiflorum	He Shou Wu	何首乌
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH761	Cinnamomum cassia	Gui Zhi	桂枝
TCMH1376	Trachelospermum jasminoides	Luo Shi Teng	络石藤
TCMH865	Carthamus tinctorius	Hong Hua	红花
TCMH981	Astragalus membranaceus	Huang Qi	黄芪
TCMH1368	Apocyni veneti folium	Luo Bu Ma Ye	罗布麻叶
TCMH834	Semen glycine max	Hei Dou	黑豆
TCMH986	Scutellaria baicalensis	Huang Qin	黄芩
TCMH877	Radix ginseng rubra	Hong Shen	红参
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1359	Pyrola calliantha	Lu Xian Cao	鹿衔草
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1698	Semen celosiae	Qing Xiang Zi	青葙子
TCMH1906	Cimicifuga foetida	Sheng Ma	升麻
TCMH1740	Cistanche deserticola	Rou Cong Rong	肉苁蓉
TCMH1814	Sophora subprostrata	Shan Dou Gen	山豆根
TCMH1617	Eriobotrya japonica thunb	Pi Pa Ye	枇杷叶
TCMH1953	Pyrrosia lingua	Shi Wei	石韦
TCMH1634	Typha angustata	Pu Huang	蒲黄
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH1845	Dioscorea batatas	Shan Yao	山药
TCMH1768	Panax notoginseng	San Qi	三七
TCMH1680	Sinomenium acutum	Qing Feng Teng	青风藤
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1797	Morus alba	Sang Ye	桑叶
TCMH1866	Cnidium monnieri	She Chuang Zi	蛇床子
TCMH2090	Gastrodia elata	Tian Ma	天麻
TCMH2094	Arisaema consanguineum	Tian Nan Xing	天南星
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH2252	Agrimonia pilosa var. japonica	Xian He Cao	仙鹤草
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH2343	Scrophularia ningpoensis	Xuan Shen	玄参
TCMH2684	Ardisia crenata	Zhu Sha Gen	朱砂根
TCMH2295	fructus foeniculi	Xiao Hui Xiang	小茴香
TCMH2297	Cirsium setosum	Xiao Ji	小蓟

Ingredient ID: TCMC3899
Formula: C10H16

Common Name	(R)-(-)-Alpha-Phellandrene,Α-Phellandrene
IUPAC Name	(5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
Canonical SMILES	CC1=CC[C@@H](C=C1)C(C)C
Standard InCHI	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
Standard InCHIKey	OGLDWXZKYODSOB-SNVBAGLBSA-N
External Identifiers	ChEMBL [CHEMBL455041]; PubChem [442482];
Reference of Component-Ingredient Pair	19035821

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH517	Angelica pubescens	Du Huo	独活
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻

Ingredient ID: TCMC3877
Formula: C15H20O2

Common Name	Β-Cyclocostunolide
IUPAC Name	(3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Canonical SMILES	C=C1CCC[C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C
Standard InCHI	InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1
Standard InCHIKey	XUYAKPXYKQEFPD-SFDCQRBFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [442192];
Reference of Component-Ingredient Pair	11731906

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC3876
Formula: C15H20O2

Common Name	Α-Cyclocostunolide
IUPAC Name	(3aS,5aR,9aR,9bS)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Canonical SMILES	CC1=CCC[C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C
Standard InCHI	InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12+,13-,15+/m0/s1
Standard InCHIKey	UHODXTMZSDNATP-SFDCQRBFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [442191];
Reference of Component-Ingredient Pair	11731906

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC3704
Formula: C15H22O3

Common Name	11Β,13-Dihydroreynosin
IUPAC Name	(3S,3aS,5aR,6R,9aS,9bS)-6-hydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
Canonical SMILES	C=C1CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)[C@H]([C@@H]1CC2)C)C)O
Standard InCHI	InChI=1S/C15H22O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-13,16H,1,4-7H2,2-3H3/t9-,10-,11+,12+,13-,15-/m0/s1
Standard InCHIKey	JWBPWNWPEVPCMJ-DMLGPZFASA-N
External Identifiers	ChEMBL [CHEMBL272177]; PubChem [189086];
Reference of Component-Ingredient Pair	11731906

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC3570
Formula: C15H22O3

Common Name	Arbusculin A
IUPAC Name	(3aS,5aR,9R,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Canonical SMILES	C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)CCC1)C
Standard InCHI	InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15+/m0/s1
Standard InCHIKey	BVRDNJZFYKHRJQ-CWFCOSEVSA-N
External Identifiers	ChEMBL [CHEMBL446602]; PubChem [160153];
Reference of Component-Ingredient Pair	18409040

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC3568
Formula: C15H24O3

Common Name	Colartin
IUPAC Name	(3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
Canonical SMILES	C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1([C@@H]2[C@](C)(O)CCC1)C
Standard InCHI	InChI=1S/C15H24O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h9-12,17H,4-8H2,1-3H3/t9-,10-,11-,12+,14+,15+/m0/s1
Standard InCHIKey	JVVPNUMNEHBXGD-WKKWAXIPSA-N
External Identifiers	ChEMBL [CHEMBL523614]; PubChem [159971];
Reference of Component-Ingredient Pair	1791470

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC3419
Formula: C19H22O6

Common Name	Cynaropicrin
IUPAC Name	[(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-(hydroxymethyl)prop-2-enoate
Canonical SMILES	OCC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=C)[C@H](C2)O
Standard InCHI	InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1
Standard InCHIKey	KHSCYOFDKADJDJ-NQLMQOPMSA-N
External Identifiers	ChEMBL [CHEMBL374146]; PubChem [119093];
Reference of Component-Ingredient Pair	29287449

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC3412
Formula: C30H50O

Common Name	Taraxasterol
IUPAC Name	(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-ol
Canonical SMILES	C=C1CC[C@]2([C@H]([C@@H]1C)[C@H]1CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C
Standard InCHI	InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1
Standard InCHIKey	XWMMEBCFHUKHEX-ZJJHUPNDSA-N
External Identifiers	ChEMBL [N/A]; PubChem [115250];
Reference of Component-Ingredient Pair	22490120

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1096	Inula japonica	Jin Fei Cao	金沸草
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1632	Taraxacum mongolicum	Pu Gong Ying	蒲公英
TCMH2337	Flos inulae	Xuan Fu Hua	旋覆花

Ingredient ID: TCMC3321
Formula: C10H16

Common Name	D-Camphene
IUPAC Name	(1R,4S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
Canonical SMILES	C=C1[C@H]2CC[C@@H](C1(C)C)C2
Standard InCHI	InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3/t8-,9+/m0/s1
Standard InCHIKey	CRPUJAZIXJMDBK-DTWKUNHWSA-N
External Identifiers	ChEMBL [CHEMBL510535]; PubChem [92221];
Reference of Component-Ingredient Pair	20964856

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH188	Mentha haplocalyx	Bo He	薄荷
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1397	Aristolochia debilis	Ma Dou Ling	马兜铃
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH2532	Curcuma aromatica	Yu Jin	郁金
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子

Ingredient ID: TCMC3318
Formula: C15H26O

Common Name	Elemol
IUPAC Name	2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
Canonical SMILES	C=C[C@]1(C)CC[C@H](C[C@H]1C(=C)C)C(O)(C)C
Standard InCHI	InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1
Standard InCHIKey	GFJIQNADMLPFOW-VNHYZAJKSA-N
External Identifiers	ChEMBL [CHEMBL2287241]; PubChem [92138];
Reference of Component-Ingredient Pair	26744017

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH33	Illicium verum	Ba Jiao Hui Xiang	八角茴香
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1903	Zingiber officinale	Sheng Jiang	生姜

Ingredient ID: TCMC3223
Formula: C10H16O

Common Name	Artemisia Ketone
IUPAC Name	3,3,6-trimethylhepta-1,5-dien-4-one
Canonical SMILES	C=CC(C(=O)C=C(C)C)(C)C
Standard InCHI	InChI=1S/C10H16O/c1-6-10(4,5)9(11)7-8(2)3/h6-7H,1H2,2-5H3
Standard InCHIKey	OTYVBQZXUNBRTK-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [68346];
Reference of Component-Ingredient Pair	26837162

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH1533	Saussurea lappa	Mu Xiang	木香

Ingredient ID: TCMC3208
Formula: C15H26O

Common Name	Cedrol,Eudesmol,Α-Cedrol
IUPAC Name	(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
Canonical SMILES	C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]([C@H](C3)C2(C)C)(C)O
Standard InCHI	InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
Standard InCHIKey	SVURIXNDRWRAFU-OGMFBOKVSA-N
External Identifiers	ChEMBL [CHEMBL1974890]; PubChem [65575];
Reference of Component-Ingredient Pair	22818358

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH144	Herba artemisiae anomalae	Bei Liu Ji Nu	北刘寄奴
TCMH33	Illicium verum	Ba Jiao Hui Xiang	八角茴香
TCMH121	Biota orientalis	Bai Zi Ren	柏子仁
TCMH120	Atractylodes macrocephala	Bai Zhu	白术
TCMH877	Radix ginseng rubra	Hong Shen	红参
TCMH797	Sargassum	Hai Zao	海藻
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1721	Panax ginseng	Ren Shen	人参

Ingredient ID: TCMC2932
Formula: C10H14

Common Name	P-Cymol,P-Cymene,Umbelliferone
IUPAC Name	1-methyl-4-propan-2-ylbenzene
Canonical SMILES	Cc1ccc(cc1)C(C)C
Standard InCHI	InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Standard InCHIKey	HFPZCAJZSCWRBC-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL442915]; PubChem [7463];
Reference of Component-Ingredient Pair	29191726

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH502	Rabdosia rubescens	Dong Ling Cao	冬凌草
TCMH512	Fructus amomi rotundus	Dou Kou	豆蔻
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH517	Angelica pubescens	Du Huo	独活
TCMH216	Fructus tsaoko	Cao Guo	草果
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH1609	Eupatorium fortunei	Pei Lan	佩兰
TCMH1835	Kaempferia galanga	Shan Nai	山柰
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH2640	Valeriana jatamansii	Zhi Zhu Xiang	蜘蛛香
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH1695	Pericarpium citri reticulatae viride	Qing Pi	青皮
TCMH2295	fructus foeniculi	Xiao Hui Xiang	小茴香

Ingredient ID: TCMC2629
Formula: C9H10

Common Name	[(E)-Prop-1-Enyl]Benzene
IUPAC Name	[(E)-prop-1-enyl]benzene
Canonical SMILES	C/C=C/c1ccccc1
Standard InCHI	InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
Standard InCHIKey	QROGIFZRVHSFLM-QHHAFSJGSA-N
External Identifiers	ChEMBL [CHEMBL506013]; PubChem [252325];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH2040	Liquidambar orientalis	Su He Xiang	苏合香
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH208	Inula racemosa	Cang Mu Xiang	藏木香
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH1178	Citrus reticulata	Ju He	橘核

Ingredient ID: TCMC2497
Formula: C15H20O3

Common Name	Santamarin
IUPAC Name	(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
Canonical SMILES	CC1=CC[C@H]([C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC2)C)O
Standard InCHI	InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h4,10-13,16H,2,5-7H2,1,3H3/t10-,11+,12+,13-,15-/m0/s1
Standard InCHIKey	PLSSEPIRACGCBO-PFFFPCNUSA-N
External Identifiers	ChEMBL [CHEMBL89311]; PubChem [188297];
Reference of Component-Ingredient Pair	11731906

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH2066	Santalum album	Tan Xiang	檀香
TCMH1903	Zingiber officinale	Sheng Jiang	生姜

Ingredient ID: TCMC2439
Formula: C15H18O2

Common Name	Dehydrocostuslactone
IUPAC Name	(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Canonical SMILES	C=C1C(=O)O[C@H]2[C@H]1CCC(=C)[C@H]1[C@@H]2C(=C)CC1
Standard InCHI	InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
Standard InCHIKey	NETSQGRTUNRXEO-XUXIUFHCSA-N
External Identifiers	ChEMBL [CHEMBL88985]; PubChem [73174];
Reference of Component-Ingredient Pair	21624443

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH1508	Commiphora myrrha	Mo Yao	没药
TCMH2538	Zea mays	Yu Mi Xu	玉米须
TCMH288	Vladimiria souliei	Chuan Mu Xiang	川木香
TCMH736	Radix aucklandiae	Guang Mu Xiang	广木香
TCMH2207	Schisandra sphenanthera	Wu Xiang Xue Teng	五香血藤
TCMH1507	Commiphora myrrha	Mo Xiang	没香

Ingredient ID: TCMC1608
Formula: C10H16

Common Name	Myrcene
IUPAC Name	7-methyl-3-methylideneocta-1,6-diene
Canonical SMILES	C=CC(=C)CCC=C(C)C
Standard InCHI	InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
Standard InCHIKey	UAHWPYUMFXYFJY-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL455491]; PubChem [31253];
Reference of Component-Ingredient Pair	22835693

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH4	Ferula assafoetida	A Wei	阿魏
TCMH2595	Rhododendron micranthum	Zhao Shan Bai	照山白
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH593	Resina liquidambaris	Feng Xiang Zhi	枫香脂
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH1126	Craibiodendron yunnanese	Jin Ye Zi	金叶子
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH2580	Coptis chinensis	Ze Xi Huang Lian	择细黄连
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH1144	Schizonepetae herba	Jing Jie Tan	荆芥炭
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH123	Pteris semipinnata	Ban Bian Qi	半边旗
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH2303	Pericarpium citri reticulatae viride	Xiao Qing Pi	小青皮
TCMH491	Oleum ocimi gratissimi	Ding Xiang Luo Le You	丁香罗勒油
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH2244	Prunella vulgaris	Xia Ku Cao	夏枯草
TCMH53	Amomum kravanh	Bai Dou Kou	白豆蔻
TCMH1141	Schizonepeta tenuifolia	Jing Jie	荆芥
TCMH2265	Cyperus rotundus	Xiang Fu	香附
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH2050	Punica granatum	Suan Shi Liu	酸石榴
TCMH1609	Eupatorium fortunei	Pei Lan	佩兰
TCMH215	Alpinia katsumadai	Cao Dou Kou Ren	草豆蔻仁
TCMH151	Rosmarinus officinalis	Bei Wu Wei	北五味
TCMH517	Angelica pubescens	Du Huo	独活
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH860	Fructus galangae	Hong Dou Kou	红豆蔻
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH243	Pericarpium citri reticulatae	Chen Pi	陈皮
TCMH2286	Berberis julianae	Xiao Bo Gen	小檗根
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH2129	Eupolyphaga sinensis	Tu Bie Chong	土鳖虫
TCMH1114	Herba glechomae longitubae	Jin Qian Cao	金钱草
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH1611	Rhizoma curcumae	Peng E Zhu	蓬莪术
TCMH1615	Eriobotrya japonica	Pi Ba Ren	枇杷仁
TCMH1665	Notopterygium incisum	Qiang Huo	羌活
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2651	Elsholtzia splendens	Zhou Ye Xiang Ru	皱叶香薷
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH1396	Portulaca oleracea	Ma Chi Xian	马齿苋
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH223	Platycladus orientalis	Ce Bai Tan	侧柏炭
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH2698	Valeriana officinalis	Zhua Di Hu	抓地虎
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH447	Illicium difengpi	Di Feng Pi	地枫皮
TCMH2673	Nepenthes rafflesiana	Zhu Long Cao	猪笼草
TCMH2320	Magnolia liliflora	Xin Yi Ren	辛夷仁
TCMH961	Artemisia scoparia	Huang Hao	黄蒿
TCMH1181	Chrysanthemum morifolium	Ju Hua	菊花
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1179	Citri exocarpium rubrum	Ju Hong	橘红
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH160	Piper cubeba	Bi Cheng Qie	毕澄茄
TCMH114	Platycladus orientalis	Bai Ye	柏叶
TCMH1970	Pericarpium zanthoxyli	Shu Jiao	蜀椒
TCMH2055	Fructus amomi	Suo Sha Ren	缩砂仁
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1142	Schizonepetae spica	Jing Jie Sui	荆芥穗
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH1777	Panax notoginseng	San Qi Ye Jing	三七叶茎
TCMH191	Mentha haplocalyx	Bo He You	薄荷油
TCMH2211	Artemisia princeps	Wu Yue Ai	五月艾
TCMH214	Alpinia katsumadai	Cao Dou Kou	草豆蔻
TCMH1846	Artemisia capillaris	Shan Yin Chen	山茵陈
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	土茵陈蒿
TCMH2494	Artemisia capillaris	Yin Chen Hao	茵陈蒿
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH1225	Valeriana officinalis	Kuan Ye Xie Cao	宽叶缬草
TCMH2310	Valeriana officinalis	Xie Cao	缬草
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1398	Ephedra sinica	Ma Huang	麻黄
TCMH1399	Ephedra sinica	Ma Huang Gao	麻黄膏
TCMH1400	Ephedra sinica	Ma Huang Gen	麻黄根
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	麻黄浸膏
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH740	Rhizoma curcumae	Guang Xi E Zhu	广西莪术
TCMH1943	Punica granatum	Shi Liu	石榴
TCMH1944	Punica granatum	Shi Liu Pi	石榴皮
TCMH1945	Punica granatum	Shi Liu Zi	石榴子
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH1770	Panax notoginseng	San Qi Gan Jin Gao	三七干浸膏
TCMH1771	Panax notoginseng	San Qi Gao Fen	三七膏粉
TCMH1772	Panax notoginseng	San Qi Hua	三七花
TCMH1774	Panax notoginseng	San Qi Jing Ye	三七茎叶
TCMH1776	Panax notoginseng	San Qi Ye	三七叶
TCMH279	Angelica pubescens	Chuan Du Huo	川独活
TCMH2276	Elsholtzia splendens	Xiang Ru	香薷
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH458	Pericarpium citri reticulatae viride	Di Qing Pi	地青皮
TCMH1695	Pericarpium citri reticulatae viride	Qing Pi	青皮
TCMH77	Liquidambar formosana	Bai Jiao Xiang	白胶香
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH292	Notopterygium incisum	Chuan Qiang Huo	川羌活
TCMH809	Chrysanthemum morifolium	Hang Ju	杭菊
TCMH2316	Magnolia liliflora	Xin Yi	辛夷
TCMH2317	Magnolia liliflora	Xin Yi Hua	辛夷花
TCMH2319	Magnolia liliflora	Xin Yi Hua Jin Gao Fen	辛夷花浸膏粉
TCMH188	Mentha haplocalyx	Bo He	薄荷
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH283	Coptis chinensis	Chuan Huang Lian	川黄连
TCMH972	Coptis chinensis	Huang Lian	黄连
TCMH973	Coptis chinensis	Huang Lian Gan Jin Gao	黄连干浸膏
TCMH975	Coptis chinensis	Huang Lian Xu	黄连须
TCMH1064	Coptis chinensis	Jiang Huang Lian	姜黄连
TCMH1161	Coptis chinensis	Jiu Huang Lian	酒黄连
TCMH2330	Coptis chinensis	Xiong Huang Lian	雄黄连
TCMH2531	Coptis chinensis	Yu Huang Lian	萸黄连
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参

Ingredient ID: TCMC1493
Formula: C10H18O

Common Name	Linalool (+)
IUPAC Name	(3R)-3,7-dimethylocta-1,6-dien-3-ol
Canonical SMILES	C=C[C@@](CCC=C(C)C)(O)C
Standard InCHI	InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1
Standard InCHIKey	CDOSHBSSFJOMGT-JTQLQIEISA-N
External Identifiers	ChEMBL [CHEMBL235672]; PubChem [443158];
Reference of Component-Ingredient Pair	22394400

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH907	Piper nigrum	Hu Jiao	胡椒
TCMH1063	Curcuma longa	Jiang Huang	姜黄
TCMH2407	Bupleurum chinense	Yan Tai Chai Hu	烟台柴胡
TCMH1126	Craibiodendron yunnanese	Jin Ye Zi	金叶子
TCMH2039	Caulis perillae frutescentis	Su Geng	苏梗
TCMH7	Ardisiae japonicae	Ai Di Cha Qing Gao	矮地茶清膏
TCMH924	Zanthoxylum bungeanum	Hua Jiao	花椒
TCMH2630	Citrus aurantium	Zhi Shi	枳实
TCMH265	Laggera pterodonta	Chu Ling Dan Cao	臭灵丹草
TCMH2506	Ginkgo biloba	Yin Xing Ye	银杏叶
TCMH1753	Boswellia carterii	Ru Xiang	乳香
TCMH2166	Clematis chinensis	Wei Ling Xian	威灵仙
TCMH1144	Schizonepetae herba	Jing Jie Tan	荆芥炭
TCMH2495	Artemisia capillaris	Yin Chen Hao Gan Jin Gao	茵陈蒿干浸膏
TCMH953	Aconitum vilmorinianum	Huang Cao Wu	黄草乌
TCMH1165	Murraya paniculata	Jiu Li Xiang	九里香
TCMH2201	Securidaca inappendiculata	Wu Wei Teng	五味藤
TCMH2143	Sophora flavescens	Tu Ku Shen	土苦参
TCMH2144	Inula helenium	Tu Mu Xiang	土木香
TCMH497	Atalantia buxifolia	Dong Feng Ju	东风橘
TCMH2303	Pericarpium citri reticulatae viride	Xiao Qing Pi	小青皮
TCMH491	Oleum ocimi gratissimi	Ding Xiang Luo Le You	丁香罗勒油
TCMH307	Cnidium officinale	Chuan Xiong Jin Gao	川芎浸膏
TCMH2244	Prunella vulgaris	Xia Ku Cao	夏枯草
TCMH316	Ailanthi cortex	Chun Pi	椿皮
TCMH2491	Alpinia oxyphylla	Yi Zhi Ren	益智仁
TCMH2642	Gardenia jasminoides	Zhi Zi Jin Gao	栀子浸膏
TCMH2003	Kyllinga brevifolia	Shui Wu Gong	水蜈蚣
TCMH607	Exodermis poria	Fu Ling Pi	茯苓皮
TCMH1343	Aloe vera	Lu Hui	芦荟
TCMH873	Radix et rhizoma rhodiolae	Hong Jing Tian	红景天
TCMH1923	Acorus tatarinowii	Shi Chang Pu Qing Gao	石菖蒲清膏
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1825	Litsea cubeba	Shan Jiang Zi	山姜子
TCMH1609	Eupatorium fortunei	Pei Lan	佩兰
TCMH1894	Pinellia ternata	Sheng Ban Xia	生半夏
TCMH215	Alpinia katsumadai	Cao Dou Kou Ren	草豆蔻仁
TCMH1979	Flos lonicerae	Shuang Hua	双花
TCMH290	Radix cudraniae	Chuan Po Shi	穿破石
TCMH108	Perilla frutescens	Bai Su Zi	白苏子
TCMH422	Angelica sinensis	Dang Gui Gan Jin Gao	当归干浸膏
TCMH1432	Vitex trifolia	Man Jing Zi	蔓荆子
TCMH243	Pericarpium citri reticulatae	Chen Pi	陈皮
TCMH2112	Radix smilacis	Tie Si Wei Ling Xian	铁丝威灵仙
TCMH2239	Asarum sieboldii	Xi Xin	细辛
TCMH2322	Prunus armeniaca	Xing Ren	杏仁
TCMH829	Semen pharbitidis	Hei Chou	黑丑
TCMH685	Syzygium aromaticum	Gong Ding Xiang	公丁香
TCMH1611	Rhizoma curcumae	Peng E Zhu	蓬莪术
TCMH1518	Chaenomeles sinensis	Mu Gua	木瓜
TCMH670	Ligusticum sinense	Gao Ben	藁本
TCMH2651	Elsholtzia splendens	Zhou Ye Xiang Ru	皱叶香薷
TCMH1033	Centella asiatica	Ji Xue Cao	积雪草
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH1661	Rhizoma homalomenae occultae	Qian Nian Jian	千年健
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	五味子流浸膏
TCMH2545	Houttuynia cordata	Yu Xing Cao	鱼腥草
TCMH1117	Rhizoma fagopyri cymosi	Jin Qiao Mai	金荞麦
TCMH970	Vitex negundo	Huang Jing Zi	黄荆子
TCMH2452	Chrysanthemum indicum	Ye Ju Hua	野菊花
TCMH1000	Foeniculum vulgare	Hui Xiang	茴香
TCMH2698	Valeriana officinalis	Zhua Di Hu	抓地虎
TCMH1903	Zingiber officinale	Sheng Jiang	生姜
TCMH447	Illicium difengpi	Di Feng Pi	地枫皮
TCMH2101	Eupatorium rebaudianum	Tian Ye Ju	甜叶菊
TCMH2320	Magnolia liliflora	Xin Yi Ren	辛夷仁
TCMH1531	Akebia quinata	Mu Tong	木通
TCMH1179	Citri exocarpium rubrum	Ju Hong	橘红
TCMH148	Glehnia littoralis	Bei Sha Shen Liu Jin Gao	北沙参流浸膏
TCMH1272	Forsythia suspensa	Lian Qiao	连翘
TCMH160	Piper cubeba	Bi Cheng Qie	毕澄茄
TCMH132	Scutellaria barbata	Ban Zhi Lian	半枝莲
TCMH2558	Rosa chinensis	Yue Ji Hua	月季花
TCMH1970	Pericarpium zanthoxyli	Shu Jiao	蜀椒
TCMH2055	Fructus amomi	Suo Sha Ren	缩砂仁
TCMH203	Acorus calamus	Cang Chang Pu	藏菖蒲
TCMH1741	Myristica fragrans	Rou Dou Kou	肉豆蔻
TCMH2267	Periploca sepium	Xiang Jia Pi	香加皮
TCMH1029	Paederia scandens	Ji Shi Teng	鸡矢藤
TCMH1804	Amomum villosum	Sha Ren Ye	砂仁叶
TCMH1184	Citrus reticulata	Ju Pi	橘皮
TCMH2180	Ficus carica	Wu Hua Guo	无花果
TCMH2722	Perilla frutescens var. arguta	Zi Su Ye	紫苏叶
TCMH2282	Citrus medica	Xiang Yuan Pi	香橼皮
TCMH1714	Lonicera japonica	Ren Dong Teng	忍冬藤
TCMH2213	Ipomoea cairica	Wu Zhao Long	五爪龙
TCMH13	Artemisia argyi	Ai Ye You	艾叶油
TCMH2211	Artemisia princeps	Wu Yue Ai	五月艾
TCMH214	Alpinia katsumadai	Cao Dou Kou	草豆蔻
TCMH1846	Artemisia capillaris	Shan Yin Chen	山茵陈
TCMH2154	Artemisia capillaris	Tu Yin Chen Hao	土茵陈蒿
TCMH2494	Artemisia capillaris	Yin Chen Hao	茵陈蒿
TCMH1803	Amomum villosum	Sha Ren	砂仁
TCMH1127	Lonicera japonica	Jin Yin Hua	金银花
TCMH1128	Lonicera japonica	Jin Yin Hua Ti Qu Ye	金银花提取液
TCMH421	Angelica sinensis	Dang Gui	当归
TCMH1292	Radix smilacis	Ling Xian	灵仙
TCMH2281	Citrus medica	Xiang Yuan	香橼
TCMH1225	Valeriana officinalis	Kuan Ye Xie Cao	宽叶缬草
TCMH2310	Valeriana officinalis	Xie Cao	缬草
TCMH52	Semen pharbitidis	Bai Chou	白丑
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1398	Ephedra sinica	Ma Huang	麻黄
TCMH1399	Ephedra sinica	Ma Huang Gao	麻黄膏
TCMH1400	Ephedra sinica	Ma Huang Gen	麻黄根
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	麻黄浸膏
TCMH130	Pinellia ternata	Ban Xia	半夏
TCMH131	Pinellia ternata	Ban Xia Qu	半夏曲
TCMH1677	Pinellia ternata	Qing Ban Xia	清半夏
TCMH1215	Sophora flavescens	Ku Shen	苦参
TCMH2080	Sophora flavescens	Teng Ku Shen	藤苦参
TCMH544	Curcuma aeruginosa	E Zhu	莪术
TCMH740	Rhizoma curcumae	Guang Xi E Zhu	广西莪术
TCMH1431	Vitex trifolia	Man Jing Ye	蔓荆叶
TCMH2488	Alpinia oxyphylla	Yi Zhi	益智
TCMH2276	Elsholtzia splendens	Xiang Ru	香薷
TCMH309	Curcuma longa	Chuan Yu Jin	川郁金
TCMH1178	Citrus reticulata	Ju He	橘核
TCMH458	Pericarpium citri reticulatae viride	Di Qing Pi	地青皮
TCMH1695	Pericarpium citri reticulatae viride	Qing Pi	青皮
TCMH496	Atalantia buxifolia	Dong Feng Jie	东风桔
TCMH12	Artemisia argyi	Ai Ye	艾叶
TCMH6	Ardisiae japonicae	Ai Di Cha	矮地茶
TCMH264	Laggera pterodonta	Chu Ling Dan	臭灵丹
TCMH64	Piper nigrum	Bai Hu Jiao	白胡椒
TCMH839	Piper nigrum	Hei Hu Jiao	黑胡椒
TCMH511	Litsea cubeba	Dou Chi Jiang	豆豉姜
TCMH1812	Litsea cubeba	Shan Cang Zi	山苍子
TCMH228	Bupleurum chinense	Chai Hu	柴胡
TCMH229	Bupleurum chinense	Chai Hu Jin Gao	柴胡浸膏
TCMH230	Bupleurum chinense	Chai Hu Shao	柴胡梢
TCMH60	Ginkgo biloba	Bai Guo	白果
TCMH61	Ginkgo biloba	Bai Guo Ren	白果仁
TCMH2316	Magnolia liliflora	Xin Yi	辛夷
TCMH2317	Magnolia liliflora	Xin Yi Hua	辛夷花
TCMH2319	Magnolia liliflora	Xin Yi Hua Jin Gao Fen	辛夷花浸膏粉
TCMH305	Cnidium officinale	Chuan Xiong	川芎
TCMH486	Syzygium aromaticum	Ding Xiang	丁香
TCMH2164	Clematis chinensis	Wei Ling	威灵
TCMH253	Citrus aurantium	Cheng Pi	橙皮
TCMH2613	Citrus aurantium	Zhi Geng	枳梗
TCMH2618	Citrus aurantium	Zhi Ke	枳壳
TCMH2619	Citrus aurantium	Zhi Ke Gan Jin Gao	枳壳干浸膏
TCMH2202	Schisandra chinensis	Wu Wei Zi	五味子
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	五味子醇浸膏
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	五味子浸出物
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	五味子浸膏
TCMH2721	Perilla frutescens var. arguta	Zi Su Geng	紫苏梗
TCMH1920	Acorus tatarinowii	Shi Chang Pu	石菖蒲
TCMH1922	Acorus tatarinowii	Shi Chang Pu Jin Gao	石菖蒲浸膏
TCMH147	Glehnia littoralis	Bei Sha Shen	北沙参
TCMH1856	Gardenia jasminoides	Shan Zhi	山栀
TCMH2641	Gardenia jasminoides	Zhi Zi	栀子

Ingredient ID: TCMC1312
Formula: C15H20O2

Common Name	Helenine
IUPAC Name	(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Canonical SMILES	C[C@H]1CCC[C@]2(C1=C[C@H]1[C@@H](C2)OC(=O)C1=C)C
Standard InCHI	InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
Standard InCHIKey	PXOYOCNNSUAQNS-AGNJHWRGSA-N
External Identifiers	ChEMBL [CHEMBL136356]; PubChem [72724];
Reference of Component-Ingredient Pair	22701292

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1533	Saussurea lappa	Mu Xiang	木香
TCMH2144	Inula helenium	Tu Mu Xiang	土木香

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC946	C15H20O2	Costunolide	232.15	2.5287	2.89	3.308	2	0	26.3	2	2	17	0
TCMC1312	C15H20O2	Helenine	232.15	1.1063	2.89	3.443	2	0	26.3	2	3	17	0
TCMC1493	C10H18O	Linalool (+)	154.14	2.4692	2.45	2.468	1	1	20.23	8	0	11	0
TCMC1608	C10H16	Myrcene	136.13	3.0936	2.56	4.17	0	0	0	6	0	10	0
TCMC2439	C15H18O2	Dehydrocostuslactone	230.13	1.6555	2.89	2.451	2	0	26.3	0	3	17	0
TCMC2497	C15H20O3	Santamarin	248.14	1.1827	2.78	1.34	3	1	46.53	3	3	18	0
TCMC2629	C9H10	[(E)-Prop-1-Enyl]Benzene	118.08	0.9073	2.45	5.478	0	0	0	2	1	9	1
TCMC2932	C10H14	P-Cymol,P-Cymene,Umbelliferone	134.1095504	1.2149	2.56	5.785	0	0	0	1	1	10	1
TCMC3208	C15H26O	Cedrol,Eudesmol,Α-Cedrol	222.1983655	1.3573	3	5.176	1	1	20.23	0	3	16	1
TCMC3223	C10H16O	Artemisia Ketone	152.1201151	2.8074	2.45	2.629	1	0	17.07	3	0	11	0
TCMC3318	C15H26O	Elemol	222.1983655	2.2108	3	4.711	1	1	20.23	3	1	16	0
TCMC3321	C10H16	D-Camphene	136.1252005	1.3875	2.56	4.024	0	0	0	0	2	10	0
TCMC3412	C30H50O	Taraxasterol	426.3861662	2.5638	4.65	11.796	1	1	20.23	0	5	31	1
TCMC3419	C19H22O6	Cynaropicrin	346.1416384	0.7485	2.89	-0.222	6	2	93.06	4	3	25	0
TCMC3568	C15H24O3	Colartin	252.1725446	0.1274	2.78	3.03	3	1	46.53	0	3	18	0
TCMC3570	C15H22O3	Arbusculin A	250.1568946	0.3445	2.78	2.848	3	1	46.53	0	3	18	0
TCMC3704	C15H22O3	11Β,13-Dihydroreynosin	250.1568946	0.0821	2.78	1.567	3	1	46.53	0	3	18	0
TCMC3876	C15H20O2	Α-Cyclocostunolide	232.1463299	1.7558	2.89	3.425	2	0	26.3	0	3	17	0
TCMC3877	C15H20O2	Β-Cyclocostunolide	232.1463299	0.8723	2.89	3.47	2	0	26.3	0	3	17	0
TCMC3899	C10H16	(R)-(-)-Alpha-Phellandrene,Α-Phellandrene	136.1252005	1.7112	2.56	4.427	0	0	0	1	1	10	0
TCMC3966	C29H50O	Sitosterol,Β-Sitosterol	414.3861662	1.3	4.54	11.595	1	1	20.23	6	4	30	1
TCMC3968	C15H18O3	3-Epizaluzanin C	246.1255944	1.0824	2.78	1.054	3	1	46.53	0	3	18	0
TCMC3984	C15H20O3	Reynosin	248.1412445	0.2992	2.78	1.385	3	1	46.53	0	3	18	0
TCMC4105	C13H20O	Α-Ionone	192.1514153	2.2521	2.78	4.103	1	0	17.07	2	1	14	0
TCMC4106	C13H20O	Β-Ionone	192.1514153	1.5768	2.78	3.65	1	0	17.07	2	1	14	0
TCMC4324	C29H48O	Stigmasterol	412.3705162	1.2566	4.54	11.071	1	1	20.23	5	4	30	1
TCMC4378	C20H16O6	Savinin	352.0946882	-0.3976	3	3.341	2	0	63.22	3	5	26	0
TCMC4393	C12H22O2	Linderic Acid	197.1541549	-1.2925	2.56	4.297	2	0	40.13	9	0	14	0
TCMC4667	C14H24O	(E)-9-Isopropyl-6-Methyl-5,9-Decadiene-2-One	208.1827154	2.1603	2.89	4.062	1	0	17.07	7	0	15	0
TCMC5134	C15H22O2	Costic Acid	233.1541549	0.1586	2.89	4.254	2	0	40.13	2	2	17	0
TCMC5172	C15H22O2	11Β,13-Dihydrocostunolide	234.1619799	2.3116	2.89	3.49	2	0	26.3	0	2	17	0
TCMC5175	C15H24	Beta-Elemene,Β-Elemene	204.1878008	3.2309	3.11	6.071	0	0	0	3	1	15	1
TCMC5214	C15H24	(+)-Germacrene A1	204.1878008	3.3746	3.11	5.551	0	0	0	1	1	15	1
TCMC5367	C20H27NO4	Saussureamine B	345.1940083	-2.0725	3.11	1.414	4	1	70.87	3	4	25	0
TCMC5404	C20H29NO4	Saussureamine A	347.2096584	-1.1993	3.11	2.271	4	1	70.87	3	3	25	0
TCMC5534	C17H26O4	1Β,6Α-Dihydroxycostic Acid Ethyl Ester	294.1831093	0.1916	2.89	1.309	4	2	66.76	4	2	21	0
TCMC5537	C15H18O2	Isodehydrocostus Lactone	230.1306798	1.8022	2.89	2.406	2	0	26.3	0	3	17	0
TCMC5554	C17H22O4	Lappalone	290.1518092	0.1793	2.89	1.926	4	1	63.6	2	3	21	0
TCMC5583	C30H38O6	Lappadilactone	494.2668389	1.3488	4.1	3.511	6	1	89.9	2	6	36	0
TCMC5624	C15H22O6S	13-Sulfo-Dihydroreynosin	329.1058844	-1.5651	2.34	0.032	6	1	112.11	2	3	22	0
TCMC5717	C15H22O6S	13-Sulfo-Dihydrosantamarine	329.1058844	-0.6816	2.34	-0.013	6	1	112.11	2	3	22	0
TCMC5889	C15H24O	Costol	220.1827154	0.6275	3	4.309	1	1	20.23	2	2	16	0
TCMC5917	C15H24	Β-Selinene	204.1878008	1.7182	3.11	6.19	0	0	0	1	2	15	1
TCMC6041	C46H80O2	Β-Amyrin Palmitate	664.6158318	-0.2771	6.3	19.936	2	0	26.3	16	5	48	2
TCMC6375	C48H84O2	Α-Amyrin Stearate	692.6471319	-1.4991	6.52	20.976	2	0	26.3	18	5	50	2
TCMC6628	C15H24O	Germacra-1(10),4,11(13)-Trien-12-Ol	220.1827154	2.2839	3	3.67	1	1	20.23	2	1	16	0
TCMC6629	C15H22O	Germacra-1(10),4,11(13)-Trien-12-Al	218.1670653	2.5402	3	4.177	1	0	17.07	2	1	16	0
TCMC6631	C15H22O2	Germacra-1(10),4,11(13)-Trien-12-Oic Acid	233.1541549	1.815	2.89	3.615	2	0	40.13	2	1	17	0
TCMC6703	C15H20O3	11Β,13-Dihydro-3-Epizaluzanin C	248.1412445	0.8653	2.78	1.236	3	1	46.53	0	3	18	0
TCMC6704	C15H26O2	4Α-Hydroxy-4Β-Methyldihydrocostol	238.1932801	0.0997	2.89	2.843	2	2	40.46	2	2	17	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: Saussurea lappa 木香

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: TCMC946

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6704

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6703

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6631

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6629

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6628

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6375

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6041

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5917

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5889

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5717

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5624

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5583

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5554

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5537

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5534

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5404

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5367

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5214

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5175

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5172

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5134

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4667

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4393

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4378

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4324

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4106

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4105

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3984

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3968