Description of the Component
Component ID |
TCMH1326 |
Latin Name |
Physeter catodon |
English Name |
Ammbergris |
Chinese Pinyin Name |
Long Xian Xiang |
中文名 |
龙涎香 |
TCM Properties |
|
TCM Meridians |
|
Therapeutic Class English |
|
Therapeutic Class Chinese |
|
Functions |
|
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
NA |
Reference |
CFDA |
Barcode ID |
GBMNA17251-19 |
Barcode Source |
BOLDSYSTEMS |
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT1 | EHMT2 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Transferase | Q96KQ7 |
| TCMT125 | GBA | Beta-glucocerebrosidase | Hydrolase | P04062 |
| TCMT17 | POLB | DNA polymerase beta | Transferase | P06746 |
| TCMT18 | GAA | Lysosomal alpha-glucosidase | Hydrolase | P10253 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT281 | DPP4 | Dipeptidyl peptidase IV | Unclassified | P27487 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
| TCMT34 | CYP2D6 | Cytochrome P450 2D6 | Oxidoreductase | P10635 |
| TCMT41 | IDH1 | Isocitrate dehydrogenase [NADP] cytoplasmic | Oxidoreductase | O75874 |
| TCMT559 | ADRB2 | Beta-2 adrenergic receptor | GPCR | P07550 |
Showing 1 to 10 of 11 entries
Targeted Pathogenic Microbes by the Ingredient of Component
| Target ID | Target Name |
|---|---|
| TCMT1218 | Staphylococcus aureus |
| TCMT1293 | Vaccinia virus |
| TCMT1438 | Plasmodium falciparum |
| TCMT1454 | Bacillus subtilis |
| TCMT1465 | Entamoeba histolytica |
Showing 1 to 5 of 5 entries
Ingredient Structrues
Ingredient ID: TCMC801
Formula: C29H50O
Ingredient ID: TCMC801
| Common Name | Beta-Sitosterol |
| IUPAC Name | (3S,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-VJSFXXLFSA-N |
| External Identifiers | ChEMBL [CHEMBL221542]; PubChem [222284]; |
| Reference of Component-Ingredient Pair | 24130033 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1011 | Sargentodoxa cuneata | Huo Xue Teng | 活血藤 |
| TCMH1017 | Oxytropis myriophylla | Ji Dou | 棘豆 |
| TCMH1032 | Impatiens balsamina | Ji Xing Zi | 急性子 |
| TCMH1033 | Centella asiatica | Ji Xue Cao | 积雪草 |
| TCMH1045 | Piper sarmentosum | Jia Ju | 假蒟 |
| TCMH1051 | Piper sarmentosum | Jia 蒟ye | 假蒟叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
Showing 1 to 10 of 331 entries
Ingredient ID: TCMC2666
Formula: C37H40N2O6
Ingredient ID: TCMC2666
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2CCN([C@H]3c2c(c1O)Oc1cc2c(cc1OC)CCN([C@H]2Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C)C |
| Standard InCHI | InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1 |
| Standard InCHIKey | IIQSJHUEZBTSAT-URLMMPGGSA-N |
| External Identifiers | ChEMBL [CHEMBL500614]; PubChem [100257]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2392
Formula: C20H28O3
Ingredient ID: TCMC2392
| Common Name | (+)-Hardwickiic Acid |
| IUPAC Name | (4aS,5R,6S,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid |
| Canonical SMILES | OC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@@H]([C@@]2(C)CCc1ccoc1)C |
| Standard InCHI | InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20+/m0/s1 |
| Standard InCHIKey | HHWOKJDCJVESIF-GIPAHHNCSA-N |
| External Identifiers | ChEMBL [CHEMBL319344]; PubChem [161454]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2369
Formula: C38H42N2O6
Ingredient ID: TCMC2369
| Common Name | Isotetrandrine |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C |
| Standard InCHI | InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1 |
| Standard InCHIKey | WVTKBKWTSCPRNU-IHLOFXLRSA-N |
| External Identifiers | ChEMBL [CHEMBL504757]; PubChem [5351212]; |
| Reference of Component-Ingredient Pair | 29898104 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1175 | Cornus officinalis | Jiu Yu Rou | 酒萸肉 |
| TCMH1326 | Physeter catodon | Long Xian Xiang | 龙涎香 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
| TCMH1765 | Cortex berberidis | San Ke Zhen Pi | 三棵针皮 |
| TCMH1862 | Cornus officinalis | Shan Zhu Yu | 山茱萸 |
| TCMH565 | Stephania tetrandra | Fang Ji | 防己 |
| TCMH686 | Caulis mahoniae | Gong Lao Mu | 功劳木 |
Showing 1 to 8 of 8 entries
Ingredient ID: TCMC1614
Formula: C19H19NO2
Ingredient ID: TCMC1614
| Common Name | N,N-Dimethyl-2-Naphtho[2,1-G][1,3]Benzodioxol-5-Ylethanamine |
| IUPAC Name | N,N-dimethyl-2-naphtho[2,1-g][1,3]benzodioxol-5-ylethanamine |
| Canonical SMILES | CN(CCc1cc2OCOc2c2c1ccc1c2cccc1)C |
| Standard InCHI | InChI=1S/C19H19NO2/c1-20(2)10-9-14-11-17-19(22-12-21-17)18-15-6-4-3-5-13(15)7-8-16(14)18/h3-8,11H,9-10,12H2,1-2H3 |
| Standard InCHIKey | FXTBDJZGDJJCQU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL492418]; PubChem [161379]; |
| Reference of Component-Ingredient Pair | 3728032 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1424
Formula: C20H19NO4
Ingredient ID: TCMC1424
| Common Name | Jatrorrhizine |
| IUPAC Name | 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol |
| Canonical SMILES | COC1=CC2=c3cc4ccc(c(c4c[n+]3CCC2=CC1=O)OC)OC |
| Standard InCHI | InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1 |
| Standard InCHIKey | MXTLAHSTUOXGQF-UHFFFAOYSA-O |
| External Identifiers | ChEMBL [CHEMBL251055]; PubChem [72323]; |
| Reference of Component-Ingredient Pair | 22651959 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1064 | Coptis chinensis | Jiang Huang Lian | 姜黄连 |
| TCMH1102 | Tinospora capillipes | Jin Guo Lan | 金果榄 |
| TCMH1161 | Coptis chinensis | Jiu Huang Lian | 酒黄连 |
| TCMH1326 | Physeter catodon | Long Xian Xiang | 龙涎香 |
| TCMH1416 | Thalictrum foliolosum | Ma Wei Lian | 马尾连 |
| TCMH1764 | Cortex berberidis | San Ke Zhen | 三棵针 |
| TCMH1765 | Cortex berberidis | San Ke Zhen Pi | 三棵针皮 |
| TCMH2248 | Corydalis decumbens | Xia Tian Wu | 夏天无 |
| TCMH2286 | Berberis julianae | Xiao Bo Gen | 小檗根 |
| TCMH2330 | Coptis chinensis | Xiong Huang Lian | 雄黄连 |
Showing 1 to 10 of 23 entries
Ingredient ID: TCMC1171
Formula: C37H40N2O6
Ingredient ID: TCMC1171
| Common Name | Fangchinoline |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2CCN([C@@H]3c2c(c1O)Oc1cc2c(cc1OC)CCN([C@H]2Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C)C |
| Standard InCHI | InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-32-18-23(8-11-30(32)41-3)17-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1 |
| Standard InCHIKey | IIQSJHUEZBTSAT-VMPREFPWSA-N |
| External Identifiers | ChEMBL [CHEMBL504256]; PubChem [73481]; |
| Reference of Component-Ingredient Pair | 26408176 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1170
Formula: C38H42N2O6
Ingredient ID: TCMC1170
| Common Name | Fanchinin |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C |
| Standard InCHI | InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1 |
| Standard InCHIKey | WVTKBKWTSCPRNU-KYJUHHDHSA-N |
| External Identifiers | ChEMBL [CHEMBL176045]; PubChem [73078]; |
| Reference of Component-Ingredient Pair | 21811889 |
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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1170 | C38H42N2O6 | Fanchinin | 622.3 | 0.274 | 4.76 | 6.098 | 2 | 0 | 61.86 | 10 | 6 | 46 | 1 |
| TCMC1171 | C37H40N2O6 | Fangchinoline | 608.29 | -0.1345 | 4.65 | 5.579 | 2 | 1 | 72.86 | 9 | 6 | 45 | 1 |
| TCMC1424 | C20H19NO4 | Jatrorrhizine | 338.14 | -1.5606 | 3.11 | 1.039 | 2 | 1 | 49.2 | 6 | 4 | 25 | 0 |
| TCMC1614 | C19H19NO2 | N,N-Dimethyl-2-Naphtho[2,1-G][1,3]Benzodioxol-5-Ylethanamine | 293.14 | 0.1823 | 3.22 | 5.276 | 1 | 0 | 21.7 | 5 | 4 | 22 | 1 |
| TCMC2369 | C38H42N2O6 | Isotetrandrine | 622.3 | 0.274 | 4.76 | 6.098 | 2 | 0 | 61.86 | 10 | 6 | 46 | 1 |
| TCMC2392 | C20H28O3 | (+)-Hardwickiic Acid | 316.2 | 1.3792 | 3.33 | 6.139 | 2 | 1 | 50.44 | 8 | 3 | 23 | 1 |
| TCMC2666 | C37H40N2O6 | 608.29 | -0.1345 | 4.65 | 5.579 | 2 | 1 | 72.86 | 9 | 6 | 45 | 1 | |
| TCMC801 | C29H50O | Beta-Sitosterol | 414.39 | 1.3 | 4.54 | 11.595 | 1 | 1 | 20.23 | 13 | 4 | 30 | 1 |
Showing 1 to 8 of 8 entries
Download Data
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