Description of the Component
Component ID |
TCMH658 |
Latin Name |
Nardostachys chinensis |
English Name |
Chinese nardostachys |
Chinese Pinyin Name |
Gan Song |
中文名 |
甘松 |
TCM Properties |
Warm,Pungent,Sweet |
TCM Meridians |
Spleen,Stomach |
Therapeutic Class English |
Regulation of qi |
Therapeutic Class Chinese |
理气 |
Functions |
regulate the flow of qi and relieve pain, and invigorate the spleen function |
Toxicity |
NA |
Geo-authentic habitats (道地产区) |
Sichuan Province,Chongqing |
Reference |
Chinese Pharmacopoeia (2015) |
Barcode ID |
GBVF2376-11 |
Barcode Source |
BOLDSYSTEMS |
TCM Prescriptions with the Component
| Prescription ID | Prescription English Name | Prescription Chinese Name |
|---|---|---|
| TCMF1757 | Heart Strengthening and Pulse Recovery Recipe | |
| TCMF2088 | Qi Shao Ji Cao Stomach Decoction | 芪芍芨草汤 |
| TCMF3234 | Bao Zhen Ointment | 宝珍膏 |
| TCMF340 | Niu Huang Jiang Ya Pills | 牛黄降压丸 |
| TCMF341 | Niu Huang Jiang Ya Tablet | 牛黄降压片 |
| TCMF342 | Niu Huang Jiang Ya Capsule | 牛黄降压胶囊 |
| TCMF3505 | Ding Xiang Lan Fan Pills | 丁香烂饭丸 |
| TCMF4275 | Ling Yuan Wan Ying Tea | 灵源万应茶 |
| TCMF4472 | Min Dong Jian Qu | 闽东建曲 |
| TCMF4497 | Hong Mao Yao Wine | 鸿茅药酒 |
Showing 1 to 10 of 48 entries
Targeted Human Proteins by the Ingredient of Component
| Target ID | Gene Symbol | Target Name | Target Class | Uniprot ID |
|---|---|---|---|---|
| TCMT150 | RORC | Nuclear receptor ROR-gamma | Nuclear receptor | P51449 |
| TCMT2 | MAPT | Microtubule-associated protein tau | Unclassified | P10636 |
| TCMT207 | BACE1 | Beta-secretase 1 | Protease | P56817 |
| TCMT248 | CXCL8 | Interleukin-8 | Unclassified | P10145 |
| TCMT3 | ALOX15 | Arachidonate 15-lipoxygenase | Oxidoreductase | P16050 |
| TCMT33 | CYP3A4 | Cytochrome P450 3A4 | Oxidoreductase | P08684 |
| TCMT69 | THRB | Thyroid hormone receptor beta-1 | Nuclear receptor | P10828 |
| TCMT8 | KDM4E | Lysine-specific demethylase 4D-like | Oxidoreductase | B2RXH2 |
| TCMT80 | MAPK1 | MAP kinase ERK2 | Kinase | P28482 |
Showing 1 to 9 of 9 entries
Targeted Pathogenic Microbes by the Ingredient of Component
Ingredient Structrues
Ingredient ID: TCMC7112
Formula: C12H14O3
Ingredient ID: TCMC7112
| Common Name | Narchinol A |
| IUPAC Name | (4R,4aS,5R)-4-hydroxy-4a,5-dimethyl-5,6-dihydro-4H-naphthalene-1,7-dione |
| Canonical SMILES | O=C1C[C@@H](C)[C@]2(C(=C1)C(=O)C=C[C@H]2O)C |
| Standard InCHI | InChI=1S/C12H14O3/c1-7-5-8(13)6-9-10(14)3-4-11(15)12(7,9)2/h3-4,6-7,11,15H,5H2,1-2H3/t7-,11-,12+/m1/s1 |
| Standard InCHIKey | OJECHLISLNGTRS-HFKOZYHYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [101316814]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6911
Formula: C15H22O
Ingredient ID: TCMC6911
| Common Name | 1(10)-Aristolen-2-One |
| IUPAC Name | (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,2,3,6,7,7b-hexahydrocyclopropa[a]naphthalen-5-one |
| Canonical SMILES | O=C1C[C@@H](C)[C@]2(C(=C1)CC[C@@H]1[C@H]2C1(C)C)C |
| Standard InCHI | InChI=1S/C15H22O/c1-9-7-11(16)8-10-5-6-12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | OHIBAYUTHVYXER-JWFUOXDNSA-N |
| External Identifiers | ChEMBL [CHEMBL2333552]; PubChem [71717616]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6838
Formula: C15H22O2
Ingredient ID: TCMC6838
| Common Name | Debilone |
| IUPAC Name | (1aR,3R,7R,7aR,7bS)-3-hydroxy-1,1,7,7a-tetramethyl-1a,2,3,6,7,7b-hexahydrocyclopropa[a]naphthalen-5-one |
| Canonical SMILES | O=C1C[C@@H](C)[C@]2(C(=C1)[C@H](O)C[C@@H]1[C@H]2C1(C)C)C |
| Standard InCHI | InChI=1S/C15H22O2/c1-8-5-9(16)6-10-12(17)7-11-13(14(11,2)3)15(8,10)4/h6,8,11-13,17H,5,7H2,1-4H3/t8-,11-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | ALMYSFNKELLWOO-XANOUDBCSA-N |
| External Identifiers | ChEMBL [CHEMBL1933706]; PubChem [57391584]; |
| Reference of Component-Ingredient Pair | 16038567 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6564
Formula: C15H26O
Ingredient ID: TCMC6564
| Common Name | Aristolan-9Β-Ol |
| IUPAC Name | (1aR,3S,3aS,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,3a,4,5,6,7,7b-octahydro-1aH-cyclopropa[a]naphthalen-3-ol |
| Canonical SMILES | O[C@H]1C[C@@H]2[C@H]([C@@]3([C@@H]1CCC[C@H]3C)C)C2(C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-9-6-5-7-10-12(16)8-11-13(14(11,2)3)15(9,10)4/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12+,13+,15+/m1/s1 |
| Standard InCHIKey | QHNIGCGGGCYOFP-CGNPOWQISA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [22215266]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6380
Formula: C15H22
Ingredient ID: TCMC6380
| Common Name | 1,2,9,10-Tetradehydroaristolane |
| IUPAC Name | (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,6,7,7b-tetrahydro-1aH-cyclopropa[a]naphthalene |
| Canonical SMILES | C[C@@H]1CC=CC2=CC[C@@H]3[C@H]([C@@]12C)C3(C)C |
| Standard InCHI | InChI=1S/C15H22/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h5,7-8,10,12-13H,6,9H2,1-4H3/t10-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | AOKPBPDKGDLBCJ-PBOSXPJTSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21159127]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6379
Formula: C15H24O
Ingredient ID: TCMC6379
| Common Name | 9-Aristolen-1-Α-Ol |
| IUPAC Name | (1aR,4S,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalen-4-ol |
| Canonical SMILES | O[C@H]1CC[C@H]([C@]2(C1=CC[C@@H]1[C@H]2C1(C)C)C)C |
| Standard InCHI | InChI=1S/C15H24O/c1-9-5-8-12(16)10-6-7-11-13(14(11,2)3)15(9,10)4/h6,9,11-13,16H,5,7-8H2,1-4H3/t9-,11-,12+,13+,15+/m1/s1 |
| Standard InCHIKey | CSUIUQRZISBPSM-PYISLEMLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [21159118]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6261
Formula: C15H24
Ingredient ID: TCMC6261
| Common Name | (1Ar,7R,7Ar,7Bs)-1,1,7,7A-Tetramethyl-1A,2,3,5,6,7,7A,7B-Octahydro-1H-Cyclopropa[A]Naphthalene,Calarene |
| IUPAC Name | (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene |
| Canonical SMILES | C[C@@H]1CCC=C2[C@@]1(C)[C@H]1[C@H](C1(C)C)CC2 |
| Standard InCHI | InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3/t10-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | MBIPADCEHSKJDQ-PBOSXPJTSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [15560278]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6109
Formula: C15H22O3
Ingredient ID: TCMC6109
| Common Name | Nardofuran |
| IUPAC Name | (1S,2R,3R,9S,12S)-12-hydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one |
| Canonical SMILES | O[C@@H]1[C@@H]2OC([C@H]1[C@@]1(C(=CCC[C@H]1C)C2=O)C)(C)C |
| Standard InCHI | InChI=1S/C15H22O3/c1-8-6-5-7-9-10(16)12-11(17)13(15(8,9)4)14(2,3)18-12/h7-8,11-13,17H,5-6H2,1-4H3/t8-,11-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | FHEZONATBQHEDB-XANOUDBCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14164972]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6108
Formula: C15H22O3
Ingredient ID: TCMC6108
| Common Name | Isonardosinone |
| IUPAC Name | (1aS,2S,2aR,3R,7aS)-2-(2-hydroxypropan-2-yl)-2a,3-dimethyl-1a,2,3,4,5,7a-hexahydronaphtho[2,3-b]oxiren-7-one |
| Canonical SMILES | O=C1[C@H]2O[C@H]2[C@H]([C@@]2(C1=CCC[C@H]2C)C)C(O)(C)C |
| Standard InCHI | InChI=1S/C15H22O3/c1-8-6-5-7-9-10(16)11-12(18-11)13(14(2,3)17)15(8,9)4/h7-8,11-13,17H,5-6H2,1-4H3/t8-,11-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | LLQFXYGDZUUPNX-XANOUDBCSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [14164971]; |
| Reference of Component-Ingredient Pair | 29202512 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC6075
Formula: C15H22O4
Ingredient ID: TCMC6075
| Common Name | Kanshone B |
| IUPAC Name | (3aR,7R,9R,9aR,9bS)-7-hydroxy-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one |
| Canonical SMILES | O[C@@H]1C[C@@H](C)[C@]2(C(=C1)C(=O)C[C@@H]1[C@H]2C(C)(C)OO1)C |
| Standard InCHI | InChI=1S/C15H22O4/c1-8-5-9(16)6-10-11(17)7-12-13(15(8,10)4)14(2,3)19-18-12/h6,8-9,12-13,16H,5,7H2,1-4H3/t8-,9-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | QLASPINFLLNESN-UVBAXCRRSA-N |
| External Identifiers | ChEMBL [CHEMBL1933704]; PubChem [14021478]; |
| Reference of Component-Ingredient Pair | 29616391 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5939
Formula: C15H24
Ingredient ID: TCMC5939
| Common Name | Β-Patchoulene |
| IUPAC Name | (1R,5S,8R)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene |
| Canonical SMILES | C[C@H]1CCC2=C1C[C@H]1CC[C@@]2(C1(C)C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15-/m0/s1 |
| Standard InCHIKey | CSKINCSXMLCMAR-RWSFTLGLSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12313993]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5935
Formula: C15H24O3
Ingredient ID: TCMC5935
| Common Name | Nardosinonediol |
| IUPAC Name | (3R,4S,4aR,5R)-3-hydroxy-4-(2-hydroxypropan-2-yl)-4a,5-dimethyl-2,3,4,5,6,7-hexahydronaphthalen-1-one |
| Canonical SMILES | O[C@@H]1CC(=O)C2=CCC[C@H]([C@@]2([C@@H]1C(O)(C)C)C)C |
| Standard InCHI | InChI=1S/C15H24O3/c1-9-6-5-7-10-11(16)8-12(17)13(14(2,3)18)15(9,10)4/h7,9,12-13,17-18H,5-6,8H2,1-4H3/t9-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | DBDGFZLAYDIKSV-JWFUOXDNSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12313520]; |
| Reference of Component-Ingredient Pair | 16122816 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5918
Formula: C15H24
Ingredient ID: TCMC5918
| Common Name | Aristolene |
| IUPAC Name | (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-2,4,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene |
| Canonical SMILES | C[C@@H]1CCCC2=CC[C@@H]3[C@H]([C@@]12C)C3(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h8,10,12-13H,5-7,9H2,1-4H3/t10-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | FOBXOZMHEKILEY-PBOSXPJTSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [12309878]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5425
Formula: C15H22O2
Ingredient ID: TCMC5425
| Common Name | Kanshone A |
| IUPAC Name | (4R,4aR,5R)-4-(2-hydroxypropan-2-yl)-4a,5-dimethyl-4,5,6,7-tetrahydronaphthalen-1-one |
| Canonical SMILES | O=C1C=C[C@H]([C@@]2(C1=CCC[C@H]2C)C)C(O)(C)C |
| Standard InCHI | InChI=1S/C15H22O2/c1-10-6-5-7-11-12(16)8-9-13(14(2,3)17)15(10,11)4/h7-10,13,17H,5-6H2,1-4H3/t10-,13+,15+/m1/s1 |
| Standard InCHIKey | CSSWGHXLDCLRSF-DGFSRKRXSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10466564]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC5334
Formula: C15H26O
Ingredient ID: TCMC5334
| Common Name | Valeranone |
| IUPAC Name | (4aS,7R,8aR)-4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one |
| Canonical SMILES | CC([C@@H]1CC[C@]2([C@](C1)(C)C(=O)CCC2)C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m1/s1 |
| Standard InCHIKey | HDVXJTYHXDVWQO-SNPRPXQTSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [10198387]; |
| Reference of Component-Ingredient Pair | 26197553 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC506
Formula: C7H10N2
Ingredient ID: TCMC506
| Common Name | 4-Methylbenzene-1,2-Diamine |
| IUPAC Name | 4-methylbenzene-1,2-diamine |
| Canonical SMILES | Cc1ccc(c(c1)N)N |
| Standard InCHI | InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3 |
| Standard InCHIKey | DGRGLKZMKWPMOH-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1319452]; PubChem [10332]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4798
Formula: C15H22O2
Ingredient ID: TCMC4798
| Common Name | Nardoguaianone K |
| IUPAC Name | (3R,8S)-8-hydroxy-3,8-dimethyl-5-propan-2-yl-2,3,6,7-tetrahydroazulen-1-one |
| Canonical SMILES | C[C@@H]1CC(=O)C2=C1C=C(CC[C@]2(C)O)C(C)C |
| Standard InCHI | InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4,17)14-12(8-11)10(3)7-13(14)16/h8-10,17H,5-7H2,1-4H3/t10-,15+/m1/s1 |
| Standard InCHIKey | FTRAYGSWEQETHN-BMIGLBTASA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5320012]; |
| Reference of Component-Ingredient Pair | 11937164 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4797
Formula: C15H22O2
Ingredient ID: TCMC4797
| Common Name | Nardoguaianone J |
| IUPAC Name | (3R,8R)-8-hydroxy-3,8-dimethyl-5-propan-2-yl-2,3,6,7-tetrahydroazulen-1-one |
| Canonical SMILES | C[C@@H]1CC(=O)C2=C1C=C(CC[C@@]2(C)O)C(C)C |
| Standard InCHI | InChI=1S/C15H22O2/c1-9(2)11-5-6-15(4,17)14-12(8-11)10(3)7-13(14)16/h8-10,17H,5-7H2,1-4H3/t10-,15-/m1/s1 |
| Standard InCHIKey | FTRAYGSWEQETHN-MEBBXXQBSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5320011]; |
| Reference of Component-Ingredient Pair | 11937164 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4607
Formula: C31H62O2
Ingredient ID: TCMC4607
| Common Name | N-Hexacosanyl Isovalerate |
| IUPAC Name | hexacosyl 3-methylbutanoate |
| Canonical SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C)C |
| Standard InCHI | InChI=1S/C31H62O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-31(32)29-30(2)3/h30H,4-29H2,1-3H3 |
| Standard InCHIKey | MFXZZHIZDYBJQM-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [5318034]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC4140
Formula: C19H20O5
Ingredient ID: TCMC4140
| Common Name | Jatamansin |
| IUPAC Name | [(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate |
| Canonical SMILES | C/C=C(C(=O)O[C@@H]1Cc2c(OC1(C)C)ccc1c2oc(=O)cc1)/C |
| Standard InCHI | InChI=1S/C19H20O5/c1-5-11(2)18(21)22-15-10-13-14(24-19(15,3)4)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m1/s1 |
| Standard InCHIKey | RRHCDWLSHIIIIT-NVWZYQMFSA-N |
| External Identifiers | ChEMBL [CHEMBL457257]; PubChem [668081]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3898
Formula: C10H16
Ingredient ID: TCMC3898
| Common Name | Carene-3 |
| IUPAC Name | (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
| Canonical SMILES | CC1=CC[C@H]2[C@@H](C1)C2(C)C |
| Standard InCHI | InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1 |
| Standard InCHIKey | BQOFWKZOCNGFEC-DTWKUNHWSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [442461]; |
| Reference of Component-Ingredient Pair | 29679267 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3723
Formula: C20H32O6
Ingredient ID: TCMC3723
| Common Name | Nardostachin |
| IUPAC Name | [(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-(3-methylbutanoyloxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate |
| Canonical SMILES | CC(CC(=O)OCC1=CO[C@H]([C@H]2[C@@H]1C[C@@H]([C@@H]2C)O)OC(=O)CC(C)C)C |
| Standard InCHI | InChI=1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19+,20-/m0/s1 |
| Standard InCHIKey | XNBHVNRFMHXLMZ-ODLFONTESA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [196699]; |
| Reference of Component-Ingredient Pair | 3375342 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3634
Formula: C15H22O3
Ingredient ID: TCMC3634
| Common Name | Nardosinone |
| IUPAC Name | (3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one |
| Canonical SMILES | O=C1C[C@H]2OOC([C@H]2[C@@]2(C1=CCC[C@H]2C)C)(C)C |
| Standard InCHI | InChI=1S/C15H22O3/c1-9-6-5-7-10-11(16)8-12-13(15(9,10)4)14(2,3)18-17-12/h7,9,12-13H,5-6,8H2,1-4H3/t9-,12-,13+,15+/m1/s1 |
| Standard InCHIKey | KXGHHSIMRWPVQM-JWFUOXDNSA-N |
| External Identifiers | ChEMBL [CHEMBL1933702]; PubChem [168136]; |
| Reference of Component-Ingredient Pair | 26116832 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3581
Formula: C14H12O4
Ingredient ID: TCMC3581
| Common Name | Oroselol |
| IUPAC Name | 8-(2-hydroxypropan-2-yl)furo[2,3-h]chromen-2-one |
| Canonical SMILES | O=c1ccc2c(o1)c1cc(oc1cc2)C(O)(C)C |
| Standard InCHI | InChI=1S/C14H12O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-7,16H,1-2H3 |
| Standard InCHIKey | KDJVHSVOXOZBDR-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [N/A]; PubChem [160600]; |
| Reference of Component-Ingredient Pair | 7172253 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC3310
Formula: C15H26O
Ingredient ID: TCMC3310
| Common Name | Beta-Eudesmol |
| IUPAC Name | 2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol |
| Canonical SMILES | C=C1CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C |
| Standard InCHI | InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1 |
| Standard InCHIKey | BOPIMTNSYWYZOC-VNHYZAJKSA-N |
| External Identifiers | ChEMBL [CHEMBL88244]; PubChem [91457]; |
| Reference of Component-Ingredient Pair | 25833731 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1437 | Rhododendron dauricum | Man Shan Hong | 满山红 |
| TCMH1866 | Cnidium monnieri | She Chuang Zi | 蛇床子 |
| TCMH1903 | Zingiber officinale | Sheng Jiang | 生姜 |
| TCMH211 | Atractylodes lancea | Cang Zhu | 苍术 |
| TCMH562 | Saposhnikovia divaricata | Fang Feng | 防风 |
| TCMH658 | Nardostachys chinensis | Gan Song | 甘松 |
| TCMH890 | Cortex magnoliae officinalis | Hou Pu | 厚朴 |
Showing 1 to 7 of 7 entries
Ingredient ID: TCMC3004
Formula: C5H10O2
Ingredient ID: TCMC3004
| Common Name | Isovaleric Acid,Lupeol |
| IUPAC Name | 3-methylbutanoic acid |
| Canonical SMILES | CC(CC(=O)[O-])C |
| Standard InCHI | InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/p-1 |
| Standard InCHIKey | GWYFCOCPABKNJV-UHFFFAOYSA-M |
| External Identifiers | ChEMBL [CHEMBL568737]; PubChem [10430]; |
| Reference of Component-Ingredient Pair | 22682363 |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC2815
Formula: C15H24
Ingredient ID: TCMC2815
| Common Name | Caryophyllene |
| IUPAC Name | (1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
| Canonical SMILES | C/C/1=C/CCC(=C)[C@@H]2[C@@H](CC1)C(C2)(C)C |
| Standard InCHI | InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1 |
| Standard InCHIKey | NPNUFJAVOOONJE-FLFDDASRSA-N |
| External Identifiers | ChEMBL [CHEMBL448700]; PubChem [5281522]; |
| Reference of Component-Ingredient Pair | 26424685 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1008 | Pogostemon cablin | Huo Xiang | 藿香 |
| TCMH1009 | Pogostemon cablin | Huo Xiang Ye | 藿香叶 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1165 | Murraya paniculata | Jiu Li Xiang | 九里香 |
| TCMH1178 | Citrus reticulata | Ju He | 橘核 |
| TCMH1184 | Citrus reticulata | Ju Pi | 橘皮 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH13 | Artemisia argyi | Ai Ye You | 艾叶油 |
Showing 1 to 10 of 68 entries
Ingredient ID: TCMC1508
Formula: C14H14O4
Ingredient ID: TCMC1508
| Common Name | Lomatin |
| IUPAC Name | 9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one |
| Canonical SMILES | O=c1ccc2c(o1)c1CC(O)C(Oc1cc2)(C)C |
| Standard InCHI | InChI=1S/C14H14O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6,11,15H,7H2,1-2H3 |
| Standard InCHIKey | UJSHBYQGQRPVNO-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL1414353]; PubChem [600670]; |
| Reference of Component-Ingredient Pair | N/A |
Occurrence of the ingredient across TCM components
Ingredient ID: TCMC1157
Formula: C10H18O
Ingredient ID: TCMC1157
| Common Name | Eucalyptol |
| IUPAC Name | 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane |
| Canonical SMILES | CC12CCC(CC1)C(O2)(C)C |
| Standard InCHI | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 |
| Standard InCHIKey | WEEGYLXZBRQIMU-UHFFFAOYSA-N |
| External Identifiers | ChEMBL [CHEMBL485259]; PubChem [2758]; |
| Reference of Component-Ingredient Pair | 26795242 |
Occurrence of the ingredient across TCM components
| Component ID | Latin Name | Pinyin Name | Chinese Name |
|---|---|---|---|
| TCMH1000 | Foeniculum vulgare | Hui Xiang | 茴香 |
| TCMH1063 | Curcuma longa | Jiang Huang | 姜黄 |
| TCMH108 | Perilla frutescens | Bai Su Zi | 白苏子 |
| TCMH1158 | Ocimum basilicum | Jiu Ceng Ta | 九层塔 |
| TCMH1181 | Chrysanthemum morifolium | Ju Hua | 菊花 |
| TCMH12 | Artemisia argyi | Ai Ye | 艾叶 |
| TCMH1215 | Sophora flavescens | Ku Shen | 苦参 |
| TCMH1225 | Valeriana officinalis | Kuan Ye Xie Cao | 宽叶缬草 |
| TCMH1277 | Alpinia officinarum | Liang Jiang | 良姜 |
| TCMH1290 | Ocimum basilicum | Ling Ling Xiang | 零陵香 |
Showing 1 to 10 of 109 entries
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TCMC1157 | C10H18O | Eucalyptol | 154.14 | 1.3109 | 2.45 | 2.595 | 1 | 0 | 9.23 | 3 | 0 | 11 | 0 |
| TCMC1508 | C14H14O4 | Lomatin | 246.09 | 0.2617 | 2.56 | 2.093 | 2 | 1 | 55.76 | 3 | 3 | 18 | 0 |
| TCMC2815 | C15H24 | Caryophyllene | 204.19 | 3.2289 | 3.11 | 6.044 | 0 | 0 | 0 | 3 | 2 | 15 | 1 |
| TCMC3004 | C5H10O2 | Isovaleric Acid,Lupeol | 101.0602545 | -0.3099 | 1.79 | 0.769 | 2 | 0 | 40.13 | 2 | 0 | 7 | 0 |
| TCMC3310 | C15H26O | Beta-Eudesmol | 222.1983655 | 0.6981 | 3 | 4.83 | 1 | 1 | 20.23 | 1 | 2 | 16 | 0 |
| TCMC3581 | C14H12O4 | Oroselol | 244.0735589 | 0.3175 | 2.56 | 2.9 | 2 | 1 | 50.44 | 1 | 3 | 18 | 0 |
| TCMC3634 | C15H22O3 | Nardosinone | 250.1568946 | 2.3024 | 2.78 | 3.049 | 3 | 0 | 35.53 | 0 | 3 | 18 | 0 |
| TCMC3723 | C20H32O6 | Nardostachin | 368.2198887 | 0.312 | 3 | 3.409 | 6 | 1 | 82.06 | 9 | 2 | 26 | 0 |
| TCMC3898 | C10H16 | Carene-3 | 136.1252005 | 2.1434 | 2.56 | 4.181 | 0 | 0 | 0 | 0 | 2 | 10 | 0 |
| TCMC4140 | C19H20O5 | Jatamansin | 328.1310737 | 2.0524 | 3 | 4.354 | 3 | 0 | 52.6 | 3 | 3 | 24 | 0 |
Showing 1 to 10 of 29 entries
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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