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 |
|---|---|---|
| TCMF1029 | Yue Ju Bao He Pills | 越鞠保和丸 |
| TCMF1047 | Shu Dan Capsule | 舒胆胶囊 |
| TCMF1101 | Tong Jing Bao Granules | 痛经宝颗粒 |
| TCMF1354 | Mu Xiang Qi Soothing Bolus | 木香顺气丸 |
| TCMF1362 | Lidan Paishi Tablets | 利胆排石片 |
| TCMF1367 | Jiuqi Niantong Pills | 九气拈痛丸 |
| TCMF1369 | Chenxiang Huaqi Pills | 沉香化气丸 |
| TCMF1373 | Aucklandiae and Arecae Pills | 木香槟榔丸 |
| TCMF1377 | Renshen Jianpi Pills | 人参健脾丸 |
| TCMF1380 | Shensu Pills | 参苏丸 |
Showing 1 to 10 of 658 entries
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 |
Showing 1 to 4 of 4 entries
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 |
Showing 1 to 5 of 5 entries
Ingredient Structrues
Ingredient ID: TCMC946
Formula: C15H20O2
Ingredient ID: TCMC946
| 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
Ingredient ID: TCMC6704
Formula: C15H26O2
Ingredient ID: TCMC6704
| 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
Ingredient ID: TCMC6703
Formula: C15H20O3
Ingredient ID: TCMC6703
| 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
Ingredient ID: TCMC6631
Formula: C15H22O2
Ingredient ID: TCMC6631
| 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
Ingredient ID: TCMC6629
Formula: C15H22O
Ingredient ID: TCMC6629
| 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
Ingredient ID: TCMC6628
Formula: C15H24O
Ingredient ID: TCMC6628
| 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
Ingredient ID: TCMC6375
Formula: C48H84O2
Ingredient ID: TCMC6375
| 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
Ingredient ID: TCMC6041
Formula: C46H80O2
Ingredient ID: TCMC6041
| 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
Ingredient ID: TCMC5917
Formula: C15H24
Ingredient ID: TCMC5917
| 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
Ingredient ID: TCMC5889
Formula: C15H24O
Ingredient ID: TCMC5889
| 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
Ingredient ID: TCMC5717
Formula: C15H22O6S
Ingredient ID: TCMC5717
| 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
Ingredient ID: TCMC5624
Formula: C15H22O6S
Ingredient ID: TCMC5624
| 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
Ingredient ID: TCMC5583
Formula: C30H38O6
Ingredient ID: TCMC5583
| 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
Ingredient ID: TCMC5554
Formula: C17H22O4
Ingredient ID: TCMC5554
| 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
Ingredient ID: TCMC5537
Formula: C15H18O2
Ingredient ID: TCMC5537
| 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
Ingredient ID: TCMC5534
Formula: C17H26O4
Ingredient ID: TCMC5534
| 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
Ingredient ID: TCMC5404
Formula: C20H29NO4
Ingredient ID: TCMC5404
| 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
Ingredient ID: TCMC5367
Formula: C20H27NO4
Ingredient ID: TCMC5367
| 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
Ingredient ID: TCMC5214
Formula: C15H24
Ingredient ID: TCMC5214
| 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
Ingredient ID: TCMC5175
Formula: C15H24
Ingredient ID: TCMC5175
| 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 |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH183 | Dryobalanops aromatica | Bing Pian | 冰片 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC5172
Formula: C15H22O2
Ingredient ID: TCMC5172
| 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
Ingredient ID: TCMC5134
Formula: C15H22O2
Ingredient ID: TCMC5134
| 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
Ingredient ID: TCMC4667
Formula: C14H24O
Ingredient ID: TCMC4667
| 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
Ingredient ID: TCMC4393
Formula: C12H22O2
Ingredient ID: TCMC4393
| 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
Ingredient ID: TCMC4378
Formula: C20H16O6
Ingredient ID: TCMC4378
| 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
Ingredient ID: TCMC4324
Formula: C29H48O
Ingredient ID: TCMC4324
| 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 |
|---|---|---|---|
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
| TCMH1423 | Ophiopogon japonicus | Mai Dong | 麦冬 |
| TCMH1499 | Changium smyrnioides | Ming Dang Shen | 明党参 |
| TCMH1531 | Akebia quinata | Mu Tong | 木通 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
Showing 1 to 10 of 37 entries
Ingredient ID: TCMC4106
Formula: C13H20O
Ingredient ID: TCMC4106
| 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
Ingredient ID: TCMC4105
Formula: C13H20O
Ingredient ID: TCMC4105
| 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
Ingredient ID: TCMC3984
Formula: C15H20O3
Ingredient ID: TCMC3984
| 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
Ingredient ID: TCMC3968
Formula: C15H18O3
Ingredient ID: TCMC3968
| 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
Ingredient ID: TCMC3966
Formula: C29H50O
Ingredient ID: TCMC3966
| 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 |
|---|---|---|---|
| TCMH104 | Paeonia lactiflora | Bai Shao | 白芍 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1186 | Lycium chinense | Gou Qi Zi | 枸杞子 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH127 | Isatis indigotica | Ban Lan Gen | 板蓝根 |
| TCMH130 | Pinellia ternata | Ban Xia | 半夏 |
| TCMH1359 | Pyrola calliantha | Lu Xian Cao | 鹿衔草 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1376 | Trachelospermum jasminoides | Luo Shi Teng | 络石藤 |
Showing 1 to 10 of 71 entries
Ingredient ID: TCMC3899
Formula: C10H16
Ingredient ID: TCMC3899
| 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
Ingredient ID: TCMC3877
Formula: C15H20O2
Ingredient ID: TCMC3877
| 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
Ingredient ID: TCMC3876
Formula: C15H20O2
Ingredient ID: TCMC3876
| 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
Ingredient ID: TCMC3704
Formula: C15H22O3
Ingredient ID: TCMC3704
| 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
Ingredient ID: TCMC3570
Formula: C15H22O3
Ingredient ID: TCMC3570
| 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
Ingredient ID: TCMC3568
Formula: C15H24O3
Ingredient ID: TCMC3568
| 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
Ingredient ID: TCMC3419
Formula: C19H22O6
Ingredient ID: TCMC3419
| 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
Ingredient ID: TCMC3412
Formula: C30H50O
Ingredient ID: TCMC3412
| 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
Ingredient ID: TCMC3321
Formula: C10H16
Ingredient ID: TCMC3321
| 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 |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1397 | Aristolochia debilis | Ma Dou Ling | 马兜铃 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH188 | Mentha haplocalyx | Bo He | 薄荷 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH2532 | Curcuma aromatica | Yu Jin | 郁金 |
| TCMH2545 | Houttuynia cordata | Yu Xing Cao | 鱼腥草 |
Showing 1 to 10 of 12 entries
Ingredient ID: TCMC3318
Formula: C15H26O
Ingredient ID: TCMC3318
| 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
Ingredient ID: TCMC3223
Formula: C10H16O
Ingredient ID: TCMC3223
| 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
Ingredient ID: TCMC3208
Formula: C15H26O
Ingredient ID: TCMC3208
| 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 |
|---|---|---|---|
| TCMH120 | Atractylodes macrocephala | Bai Zhu | 白术 |
| TCMH121 | Biota orientalis | Bai Zi Ren | 柏子仁 |
| TCMH144 | Herba artemisiae anomalae | Bei Liu Ji Nu | 北刘寄奴 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH33 | Illicium verum | Ba Jiao Hui Xiang | 八角茴香 |
| TCMH797 | Sargassum | Hai Zao | 海藻 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC2932
Formula: C10H14
Ingredient ID: TCMC2932
| 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 |
|---|---|---|---|
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH1609 | Eupatorium fortunei | Pei Lan | 佩兰 |
| TCMH1695 | Pericarpium citri reticulatae viride | Qing Pi | 青皮 |
| TCMH1803 | Amomum villosum | Sha Ren | 砂仁 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH216 | Fructus tsaoko | Cao Guo | 草果 |
| TCMH2202 | Schisandra chinensis | Wu Wei Zi | 五味子 |
Showing 1 to 10 of 19 entries
Ingredient ID: TCMC2629
Formula: C9H10
Ingredient ID: TCMC2629
| 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 |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH2040 | Liquidambar orientalis | Su He Xiang | 苏合香 |
| TCMH208 | Inula racemosa | Cang Mu Xiang | 藏木香 |
| TCMH2144 | Inula helenium | Tu Mu Xiang | 土木香 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2497
Formula: C15H20O3
Ingredient ID: TCMC2497
| 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
Ingredient ID: TCMC2439
Formula: C15H18O2
Ingredient ID: TCMC2439
| 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 |
|---|---|---|---|
| TCMH1507 | Commiphora myrrha | Mo Xiang | 没香 |
| TCMH1508 | Commiphora myrrha | Mo Yao | 没药 |
| TCMH1533 | Saussurea lappa | Mu Xiang | 木香 |
| TCMH2207 | Schisandra sphenanthera | Wu Xiang Xue Teng | 五香血藤 |
| 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 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC1608
Formula: C10H16
Ingredient ID: TCMC1608
| 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 |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1114 | Herba glechomae longitubae | Jin Qian Cao | 金钱草 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1141 | Schizonepeta tenuifolia | Jing Jie | 荆芥 |
| TCMH1142 | Schizonepetae spica | Jing Jie Sui | 荆芥穗 |
Showing 1 to 10 of 151 entries
Ingredient ID: TCMC1493
Formula: C10H18O
Ingredient ID: TCMC1493
| 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 |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1029 | Paederia scandens | Ji Shi Teng | 鸡矢藤 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1117 | Rhizoma fagopyri cymosi | Jin Qiao Mai | 金荞麦 |
| TCMH1126 | Craibiodendron yunnanese | Jin Ye Zi | 金叶子 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH1144 | Schizonepetae herba | Jing Jie Tan | 荆芥炭 |
Showing 1 to 10 of 154 entries
Ingredient ID: TCMC1312
Formula: C15H20O2
Ingredient ID: TCMC1312
| 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
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 |
Showing 1 to 10 of 50 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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