Description of the Component
Component ID |
TCMH1219 |
Latin Name |
Semen armeniacae amarum |
English Name |
bitter apricot seed |
Chinese Pinyin Name |
Ku Xing Ren |
中文名 |
苦杏仁 |
TCM Properties |
Minor Warm,Bitter |
TCM Meridians |
Lung,Large Intestine |
Therapeutic Class English |
For desolving phlegm, stopping cougth, and soothing breathing |
Therapeutic Class Chinese |
化痰止咳平喘 |
Functions |
relieve cough and asthma, and relax bowels |
Toxicity |
Toxic |
Geo-authentic habitats (道地产区) |
Inner Mongolia Autonomous Region |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
|
Barcode Source |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1 | San Niu Tablets | 三拗片 |
| TCMF1017 | Yi Fei Qing Hua Ointment | 益肺清化膏 |
| TCMF1032 | Ting Bei Capsule | 葶贝胶囊 |
| TCMF1063 | Ma Ren Pills | 麻仁丸 |
| TCMF1064 | Ma Ren Zi Pi Pills | 麻仁滋脾丸 |
| TCMF1096 | Hu Po Hai Jing Pills | 琥珀还睛丸 |
| TCMF12 | Ke Ke Tablets | 克咳片 |
| TCMF1374 | Lung Ventilating Regulating Pills | 通宣理肺丸 |
| TCMF1413 | Lusika Pills | 鹭鸶咯丸 |
| TCMF1447 | Bolus of Dendrobii for Poor Vision | 石斛夜光丸 |
Showing 1 to 10 of 432 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT162 | UGT1A1 | UDP-glucuronosyltransferase 1-1 | Transferase | P22309 |
Showing 1 to 1 of 1 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1246 | Escherichia coli |
| TCMT1253 | Penicillium chrysogenum |
| TCMT1454 | Bacillus subtilis |
| TCMT1462 | Streptococcus mutans |
Showing 1 to 4 of 4 entries
Ingredient Structrues
Ingredient ID: TCMC922
Formula: C10H16O
Ingredient ID: TCMC922
| Common Name | Citral |
| IUPAC Name | (2E)-3,7-dimethylocta-2,6-dienal |
| Canonical SMILES | O=C/C=C(/CCC=C(C)C)C |
| Standard InCHI | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+ |
| Standard InCHIKey | WTEVQBCEXWBHNA-JXMROGBWSA-N |
| External Identifiers | ChEMBL [CHEMBL1080997]; PubChem [638011]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1065 | Cortex zingiberis | Jiang Pi | 姜皮 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1272 | Forsythia suspensa | Lian Qiao | 连翘 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
| TCMH1562 | Arctium lappa | Niu Bang Zi | 牛蒡子 |
Showing 1 to 10 of 65 entries
Ingredient ID: TCMC5969
Formula: C16H32O3
Ingredient ID: TCMC5969
| Common Name | 2-Hydroxy-hexadecanoic acid |
| IUPAC Name | (2S)-2-hydroxyhexadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCC[C@@H](C(=O)[O-])O |
| Standard InCHI | InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/p-1/t15-/m0/s1 |
| Standard InCHIKey | JGHSBPIZNUXPLA-HNNXBMFYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [12575964]; |
| Reference of Component-Ingredient Pair | 24838512 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5883
Formula: C29H50O
Ingredient ID: TCMC5883
| Common Name | sitosterol |
| IUPAC Name | (3R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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-ZFVHJZABSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12303645]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5855
Formula: C30H50
Ingredient ID: TCMC5855
| Common Name | (6Z,10E,14E,18E)-2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-Hexaene |
| IUPAC Name | (6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene |
| Canonical SMILES | C/C(=CCC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/CC/C=C(CCC=C(C)C)/C |
| Standard InCHI | InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23-,30-24+ |
| Standard InCHIKey | YYGNTYWPHWGJRM-FLHYQJCXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11975273]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5213
Formula: C8H7NO
Ingredient ID: TCMC5213
| Common Name | d-mandelonitrile |
| IUPAC Name | (2R)-2-hydroxy-2-phenylacetonitrile |
| Canonical SMILES | O[C@H](c1ccccc1)C#N |
| Standard InCHI | InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1 |
| Standard InCHIKey | NNICRUQPODTGRU-QMMMGPOBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [9548674]; |
| Reference of Component-Ingredient Pair | 21892598 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5177
Formula: C18H22O2
Ingredient ID: TCMC5177
| Common Name | estrone |
| IUPAC Name | (8R,9R,13R,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Canonical SMILES | Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2([C@H]1CCC2=O)C |
| Standard InCHI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16-,18+/m0/s1 |
| Standard InCHIKey | DNXHEGUUPJUMQT-UIBIWLFHSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [6918970]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5021
Formula: C57H104O6
Ingredient ID: TCMC5021
| Common Name | Triolein |
| IUPAC Name | 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate |
| Canonical SMILES | CCCCCCCC/C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=CCCCCCCCC)COC(=O)CCCCCCC/C=CCCCCCCCC |
| Standard InCHI | InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27- |
| Standard InCHIKey | PHYFQTYBJUILEZ-IUPFWZBJSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5497163]; |
| Reference of Component-Ingredient Pair | 25073109 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4609
Formula: C6H12O
Ingredient ID: TCMC4609
| Common Name | 2-Hexenol |
| IUPAC Name | (E)-hex-2-en-1-ol |
| Canonical SMILES | CCC/C=C/CO |
| Standard InCHI | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+ |
| Standard InCHIKey | ZCHHRLHTBGRGOT-SNAWJCMRSA-N |
| External Identifiers | ChEMBL [CHEMBL2228463]; PubChem [5318042]; |
| Reference of Component-Ingredient Pair | 11413487 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4425
Formula: C22H42O2
Ingredient ID: TCMC4425
| Common Name | 11-docosenoic acid |
| IUPAC Name | (E)-docos-11-enoic acid |
| Canonical SMILES | CCCCCCCCCC/C=C/CCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/p-1/b12-11+ |
| Standard InCHIKey | KJDZDTDNIULJBE-VAWYXSNFSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5312549]; |
| Reference of Component-Ingredient Pair | 11413487 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4414
Formula: C19H34O2
Ingredient ID: TCMC4414
| Common Name | METHYL LINOLEATE |
| IUPAC Name | methyl (9Z,12Z)-octadeca-9,12-dienoate |
| Canonical SMILES | CCCCC/C=CC/C=CCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10- |
| Standard InCHIKey | WTTJVINHCBCLGX-NQLNTKRDSA-N |
| External Identifiers | ChEMBL [CHEMBL3183866]; PubChem [5284421]; |
| Reference of Component-Ingredient Pair | 22925758 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4402
Formula: C20H36O2
Ingredient ID: TCMC4402
| Common Name | 11,14-eicosadienoic acid |
| IUPAC Name | (11E,14E)-icosa-11,14-dienoic acid |
| Canonical SMILES | CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/p-1/b7-6+,10-9+ |
| Standard InCHIKey | XSXIVVZCUAHUJO-AVQMFFATSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5282805]; |
| Reference of Component-Ingredient Pair | 18668196 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4396
Formula: C18H34O2
Ingredient ID: TCMC4396
| Common Name | Isooleic Acid |
| IUPAC Name | (E)-octadec-10-enoic acid |
| Canonical SMILES | CCCCCCC/C=C/CCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9H,2-7,10-17H2,1H3,(H,19,20)/p-1/b9-8+ |
| Standard InCHIKey | QXJSBBXBKPUZAA-CMDGGOBGSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [5282760]; |
| Reference of Component-Ingredient Pair | 19319523 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4392
Formula: C11H20O2
Ingredient ID: TCMC4392
| Common Name | 2-undecenoic acid |
| IUPAC Name | (E)-undec-2-enoic acid |
| Canonical SMILES | CCCCCCCC/C=C/C(=O)[O-] |
| Standard InCHI | InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/p-1/b10-9+ |
| Standard InCHIKey | IGBBVTAVILYDIO-MDZDMXLPSA-M |
| External Identifiers | ChEMBL [CHEMBL3307202]; PubChem [5282728]; |
| Reference of Component-Ingredient Pair | 19050862 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4307
Formula: C6H10O
Ingredient ID: TCMC4307
| Common Name | 2-Hexenal |
| IUPAC Name | (E)-hex-2-enal |
| Canonical SMILES | CCC/C=C/C=O |
| Standard InCHI | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+ |
| Standard InCHIKey | MBDOYVRWFFCFHM-SNAWJCMRSA-N |
| External Identifiers | ChEMBL [CHEMBL2228570]; PubChem [5281168]; |
| Reference of Component-Ingredient Pair | 23864024 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4138
Formula: C20H27NO11
Ingredient ID: TCMC4138
| Common Name | Alpha-Pinene,Amygdalin |
| IUPAC Name | (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H](c3ccccc3)C#N)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1 |
| Standard InCHIKey | XUCIJNAGGSZNQT-JHSLDZJXSA-N |
| External Identifiers | ChEMBL [CHEMBL461727]; PubChem [656516]; |
| Reference of Component-Ingredient Pair | 28303417 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1617 | Eriobotrya japonica thunb | Pi Pa Ye | 枇杷叶 |
| TCMH2073 | Prunus persica | Tao Ren | 桃仁 |
| TCMH2191 | Prunus mume | Wu Mei | 乌梅 |
| TCMH2536 | Prunus japonica | Yu Li Ren | 郁李仁 |
| TCMH2618 | Citrus aurantium | Zhi Ke | 枳壳 |
| TCMH327 | Eleutherococcus senticosus | Ci Wu Jia | 刺五加 |
Showing 1 to 7 of 7 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: TCMC4000
Formula: C14H28O2
Ingredient ID: TCMC4000
| Common Name | Aseanostatin P1 |
| IUPAC Name | 12-methyltridecanoic acid |
| Canonical SMILES | CC(CCCCCCCCCCC(=O)[O-])C |
| Standard InCHI | InChI=1S/C14H28O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)/p-1 |
| Standard InCHIKey | YYVJAABUJYRQJO-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [520298]; |
| Reference of Component-Ingredient Pair | 15112737 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3427
Formula: C20H38O4
Ingredient ID: TCMC3427
| Common Name | Diisooctyl succinate |
| IUPAC Name | bis(6-methylheptyl) butanedioate |
| Canonical SMILES | CC(CCCCCOC(=O)CCC(=O)OCCCCCC(C)C)C |
| Standard InCHI | InChI=1S/C20H38O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h17-18H,5-16H2,1-4H3 |
| Standard InCHIKey | MQKXWEJVDDRQKK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [120074]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3416
Formula: C14H17NO6
Ingredient ID: TCMC3416
| Common Name | Prunasin |
| IUPAC Name | (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile |
| Canonical SMILES | OC[C@H]1O[C@@H](O[C@H](c2ccccc2)C#N)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1 |
| Standard InCHIKey | ZKSZEJFBGODIJW-GMDXDWKASA-N |
| External Identifiers | ChEMBL [CHEMBL1778417]; PubChem [119033]; |
| Reference of Component-Ingredient Pair | 26961681 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3271
Formula: C8H14O3
Ingredient ID: TCMC3271
| Common Name | 6-Oxooctanoic acid |
| IUPAC Name | 6-oxooctanoic acid |
| Canonical SMILES | CCC(=O)CCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C8H14O3/c1-2-7(9)5-3-4-6-8(10)11/h2-6H2,1H3,(H,10,11)/p-1 |
| Standard InCHIKey | PUOYTVHCFIDKJM-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [N/A]; PubChem [77914]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3153
Formula: C34H70
Ingredient ID: TCMC3153
| Common Name | Tetratriacontane |
| IUPAC Name | tetratriacontane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C34H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3 |
| Standard InCHIKey | GWVDBZWVFGFBCN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [26519]; |
| Reference of Component-Ingredient Pair | 21967701 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3077
Formula: C24H50
Ingredient ID: TCMC3077
| Common Name | Tetracosane |
| IUPAC Name | tetracosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3 |
| Standard InCHIKey | POOSGDOYLQNASK-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12592]; |
| Reference of Component-Ingredient Pair | 22423857 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3071
Formula: C35H72
Ingredient ID: TCMC3071
| Common Name | Pentatriacontane |
| IUPAC Name | pentatriacontane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3 |
| Standard InCHIKey | VHQQPFLOGSTQPC-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12413]; |
| Reference of Component-Ingredient Pair | 19476705 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3070
Formula: C33H68
Ingredient ID: TCMC3070
| Common Name | Triatricontane |
| IUPAC Name | tritriacontane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3 |
| Standard InCHIKey | SUJUOAZFECLBOA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12411]; |
| Reference of Component-Ingredient Pair | 21967701 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3069
Formula: C31H64
Ingredient ID: TCMC3069
| Common Name | Hentriacontane |
| IUPAC Name | hentriacontane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3 |
| Standard InCHIKey | IUJAMGNYPWYUPM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL257490]; PubChem [12410]; |
| Reference of Component-Ingredient Pair | 22359371 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH2128 | Rhizoma bolbostemmae | Tu Bei Mu | 土贝母 |
| TCMH241 | Plantago asiatica | Che Qian Zi | 车前子 |
| TCMH2507 | Epimedium brevicornum | Yin Yang Huo | 淫羊藿 |
Showing 1 to 5 of 5 entries
Ingredient ID: TCMC3068
Formula: C29H60
Ingredient ID: TCMC3068
| Common Name | Nonacosane |
| IUPAC Name | nonacosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3 |
| Standard InCHIKey | IGGUPRCHHJZPBS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL428955]; PubChem [12409]; |
| Reference of Component-Ingredient Pair | 22292044 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1368 | Apocyni veneti folium | Luo Bu Ma Ye | 罗布麻叶 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1813 | Asarum sagittarioides | Shan Ci Gu | 山慈菇 |
| TCMH2128 | Rhizoma bolbostemmae | Tu Bei Mu | 土贝母 |
| TCMH2252 | Agrimonia pilosa var. japonica | Xian He Cao | 仙鹤草 |
| TCMH2641 | Gardenia jasminoides | Zhi Zi | 栀子 |
| TCMH2693 | Fructus gleditsiae abnormalis | Zhu Ya Zao | 猪牙皂 |
| TCMH389 | Gleditsiae sinensis fructus | Da Zao Jiao | 大皂角 |
| TCMH524 | Eucommia ulmoides | Du Zhong | 杜仲 |
Showing 1 to 10 of 13 entries
Ingredient ID: TCMC3067
Formula: C28H58
Ingredient ID: TCMC3067
| Common Name | Octacosane |
| IUPAC Name | octacosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 |
| Standard InCHIKey | ZYURHZPYMFLWSH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12408]; |
| Reference of Component-Ingredient Pair | 24991116 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3066
Formula: C26H54
Ingredient ID: TCMC3066
| Common Name | Hexacosane |
| IUPAC Name | hexacosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3 |
| Standard InCHIKey | HMSWAIKSFDFLKN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12407]; |
| Reference of Component-Ingredient Pair | 21288369 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3065
Formula: C25H52
Ingredient ID: TCMC3065
| Common Name | Pentacosane |
| IUPAC Name | pentacosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3 |
| Standard InCHIKey | YKNWIILGEFFOPE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12406]; |
| Reference of Component-Ingredient Pair | 22423857 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3058
Formula: C15H32
Ingredient ID: TCMC3058
| Common Name | Pentadecane |
| IUPAC Name | pentadecane |
| Canonical SMILES | CCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3 |
| Standard InCHIKey | YCOZIPAWZNQLMR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1234557]; PubChem [12391]; |
| Reference of Component-Ingredient Pair | 22836827 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH2239 | Asarum sieboldii | Xi Xin | 细辛 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC3045
Formula: C27H56
Ingredient ID: TCMC3045
| Common Name | Heptacosane |
| IUPAC Name | heptacosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3 |
| Standard InCHIKey | BJQWYEJQWHSSCJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11636]; |
| Reference of Component-Ingredient Pair | 22978235 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3044
Formula: C18H38
Ingredient ID: TCMC3044
| Common Name | N-Octadecane |
| IUPAC Name | octadecane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3 |
| Standard InCHIKey | RZJRJXONCZWCBN-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11635]; |
| Reference of Component-Ingredient Pair | 22840226 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3026
Formula: C32H66
Ingredient ID: TCMC3026
| Common Name | Bicetyl |
| IUPAC Name | dotriacontane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3 |
| Standard InCHIKey | QHMGJGNTMQDRQA-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [11008]; |
| Reference of Component-Ingredient Pair | 21829351 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3025
Formula: C16H34
Ingredient ID: TCMC3025
| Common Name | Hexadecane |
| IUPAC Name | hexadecane |
| Canonical SMILES | CCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3 |
| Standard InCHIKey | DCAYPVUWAIABOU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL134994]; PubChem [11006]; |
| Reference of Component-Ingredient Pair | 22909967 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1466 | Rosa rugosa | Mei Gui Hua | 玫瑰花 |
| TCMH158 | Piper longum | Bi Ba | 荜茇 |
| TCMH1721 | Panax ginseng | Ren Shen | 人参 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH1835 | Kaempferia galanga | Shan Nai | 山柰 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3006
Formula: C17H34O2
Ingredient ID: TCMC3006
| Common Name | Daturic Acid,Heptadecanoic Acid,Margaric Acid |
| IUPAC Name | heptadecanoic acid |
| Canonical SMILES | CCCCCCCCCCCCCCCCC(=O)[O-] |
| Standard InCHI | InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/p-1 |
| Standard InCHIKey | KEMQGTRYUADPNZ-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL1172910]; PubChem [10465]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1343 | Aloe vera | Lu Hui | 芦荟 |
| TCMH2241 | Panax quinquefolium | Xi Yang Shen | 西洋参 |
| TCMH2725 | Fructus perillae | Zi Su Zi | 紫苏子 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH797 | Sargassum | Hai Zao | 海藻 |
| TCMH877 | Radix ginseng rubra | Hong Shen | 红参 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC2969
Formula: C20H42
Ingredient ID: TCMC2969
| Common Name | Eicosane |
| IUPAC Name | icosane |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCC |
| Standard InCHI | InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3 |
| Standard InCHIKey | CBFCDTFDPHXCNY-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [8222]; |
| Reference of Component-Ingredient Pair | 22901681 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2967
Formula: C19H38O2
Ingredient ID: TCMC2967
| Common Name | Methyl Octadecanoate |
| IUPAC Name | methyl octadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3 |
| Standard InCHIKey | HPEUJPJOZXNMSJ-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [8201]; |
| Reference of Component-Ingredient Pair | 22113189 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2964
Formula: C17H34O2
Ingredient ID: TCMC2964
| Common Name | Methyl Hexadecanate,Methyl Palmitate |
| IUPAC Name | methyl hexadecanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OC |
| Standard InCHI | InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3 |
| Standard InCHIKey | FLIACVVOZYBSBS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL335125]; PubChem [8181]; |
| Reference of Component-Ingredient Pair | 22978235 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1219 | Semen armeniacae amarum | Ku Xing Ren | 苦杏仁 |
| TCMH1680 | Sinomenium acutum | Qing Feng Teng | 青风藤 |
| TCMH1768 | Panax notoginseng | San Qi | 三七 |
| TCMH305 | Cnidium officinale | Chuan Xiong | 川芎 |
| TCMH426 | Codonopsis pilosula | Dang Shen | 党参 |
| TCMH925 | Exocarpium citri grandis | Hua Ju Hong | 化橘红 |
Showing 1 to 6 of 6 entries
Ingredient ID: TCMC2890
Formula: C6H12O
Ingredient ID: TCMC2890
| Common Name | Butylethylene Ether,Hexanal |
| IUPAC Name | hexanal |
| Canonical SMILES | CCCCCC=O |
| Standard InCHI | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 |
| Standard InCHIKey | JARKCYVAAOWBJS-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL280331]; PubChem [6184]; |
| Reference of Component-Ingredient Pair | 28947239 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2852
Formula: C6H12O6
Ingredient ID: TCMC2852
| Common Name | D-Glucoside |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| Canonical SMILES | OC1C(O)C(O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H |
| Standard InCHIKey | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [892]; |
| Reference of Component-Ingredient Pair | 29968805 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2541
Formula: C10H18O
Ingredient ID: TCMC2541
| Common Name | Alpha-Terpineol |
| IUPAC Name | 2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol |
| Canonical SMILES | CC1=CC[C@H](CC1)C(O)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1 |
| Standard InCHIKey | WUOACPNHFRMFPN-SECBINFHSA-N |
| External Identifiers | ChEMBL [CHEMBL447597]; PubChem [443162]; |
| Reference of Component-Ingredient Pair | 27231091 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| 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 |
| TCMH1127 | Lonicera japonica | Jin Yin Hua | 金银花 |
| TCMH1128 | Lonicera japonica | Jin Yin Hua Ti Qu Ye | 金银花提取液 |
| TCMH114 | Platycladus orientalis | Bai Ye | 柏叶 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
Showing 1 to 10 of 143 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC2541 | C10H18O | Alpha-Terpineol | 154.14 | 1.1223 | 2.45 | 2.369 | 1 | 1 | 20.23 | 5 | 1 | 11 | 0 |
| TCMC2852 | C6H12O6 | D-Glucoside | 180.0633881 | -3.0642 | 1.46 | -1.458 | 6 | 6 | 121.38 | 0 | 1 | 12 | 1 |
| TCMC2890 | C6H12O | Butylethylene Ether,Hexanal | 100.088815 | -0.9703 | 2.01 | 2.294 | 1 | 0 | 17.07 | 4 | 0 | 7 | 0 |
| TCMC2964 | C17H34O2 | Methyl Hexadecanate,Methyl Palmitate | 270.2558803 | -3.6467 | 3.11 | 7.891 | 2 | 0 | 26.3 | 15 | 0 | 19 | 2 |
| TCMC2967 | C19H38O2 | Methyl Octadecanoate | 298.2871805 | -4.2227 | 3.33 | 9.029 | 2 | 0 | 26.3 | 17 | 0 | 21 | 2 |
| TCMC2969 | C20H42 | Eicosane | 282.3286513 | -5.0814 | 3.66 | 11.72 | 0 | 0 | 0 | 17 | 0 | 20 | 2 |
| TCMC3006 | C17H34O2 | Daturic Acid,Heptadecanoic Acid,Margaric Acid | 269.2480553 | -4.8635 | 3.11 | 7.658 | 2 | 0 | 40.13 | 15 | 0 | 19 | 2 |
| TCMC3025 | C16H34 | Hexadecane | 226.2660511 | -3.9294 | 3.22 | 9.444 | 0 | 0 | 0 | 13 | 0 | 16 | 2 |
| TCMC3026 | C32H66 | Bicetyl | 450.5164521 | -8.5374 | 4.98 | 18.548 | 0 | 0 | 0 | 29 | 0 | 32 | 2 |
| TCMC3044 | C18H38 | N-Octadecane | 254.2973512 | -4.5054 | 3.44 | 10.582 | 0 | 0 | 0 | 15 | 0 | 18 | 2 |
Showing 1 to 10 of 41 entries
Download Data
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