TCM-ID Component

Description of the Component

Component ID	TCMH2697
Latin Name	Rhizoma panacis majoris
English Name	Largeleaf japanese ginseng rhizome
Chinese Pinyin Name	Zhu Zi Shen
中文名	珠子参
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions	nourish yin and replenish the lung, promote the flow of qi in collaterals, and arrest bleeding
Toxicity	NA
Geo-authentic habitats (道地产区)	Yunnan Province
Reference	CFDA
Barcode ID
Barcode Source

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx4456	Pan Long Qi Tablets	盘龙七片
TCMFx4463	Pan Long Qi Yao Wine	盘龙七药酒

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name

Ingredient Structrues

Ingredient ID: TCMC6928
Formula: C47H74O18

Common Name	Pseudoginsenoside Rt1
IUPAC Name	6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
Canonical SMILES	OCC1OC(OC(=O)C23CCC4(C(=CCC5C4(C)CCC4C5(C)CCC(C4(C)C)OC4OC(C(=O)[O-])C(C(C4OC4OCC(C(C4O)O)O)O)O)C3CC(CC2)(C)C)C)C(C(C1O)O)O
Standard InCHI	InChI=1S/C47H74O18/c1-42(2)14-16-47(41(59)65-39-34(56)30(52)29(51)24(19-48)61-39)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(32(54)31(53)35(63-40)37(57)58)64-38-33(55)28(50)23(49)20-60-38/h8,22-36,38-40,48-56H,9-20H2,1-7H3,(H,57,58)/p-1
Standard InCHIKey	YTPBUIWNJRGZFW-UHFFFAOYSA-M
External Identifiers	ChEMBL [N/A]; PubChem [73816106];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC6851
Formula: C54H92O23

Common Name	Ginsenoside Rb1
IUPAC Name	2-[[6-[(2S)-2-[(14R)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OCC1OC(OC2CCC3(C(C2(C)C)CCC2(C3CC(O)C3[C@@]2(C)CCC3[C@@](OC2OC(COC3OC(CO)C(C(C3O)O)O)C(C(C2O)O)O)(CCC=C(C)C)C)C)C)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O
Standard InCHI	InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,51?,52?,53-,54+/m1/s1
Standard InCHIKey	GZYPWOGIYAIIPV-DFRIBHHNSA-N
External Identifiers	ChEMBL [N/A]; PubChem [59070837];
Reference of Component-Ingredient Pair	US7235267

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC6701
Formula: C30H48O3

Common Name	Oleanicacid
IUPAC Name	(6aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Canonical SMILES	OC1CCC2(C(C1(C)C)CCC1(C2CC=C2[C@@]1(C)CCC1(C2CC(C)(C)CC1)C(=O)[O-])C)C
Standard InCHI	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/p-1/t20?,21?,22?,23?,27?,28-,29?,30?/m1/s1
Standard InCHIKey	MIJYXULNPSFWEK-QFHPIDNASA-M
External Identifiers	ChEMBL [N/A]; PubChem [44457814];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参
TCMH2662	Disporopsis fuscopicta	Zhu Gen Qi	竹根七

Ingredient ID: TCMC6040
Formula: C42H66O14

Common Name	Chikusetsusaponin Iva
IUPAC Name	6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES	OCC1OC(OC(=O)C23CCC4(C(=CCC5C4(C)CCC4C5(C)CCC(C4(C)C)OC4OC(C(=O)[O-])C(C(C4O)O)O)C3CC(CC2)(C)C)C)C(C(C1O)O)O
Standard InCHI	InChI=1S/C42H66O14/c1-37(2)14-16-42(36(52)56-34-30(48)27(45)26(44)22(19-43)53-34)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-31(49)28(46)29(47)32(55-35)33(50)51/h8,21-32,34-35,43-49H,9-19H2,1-7H3,(H,50,51)/p-1
Standard InCHIKey	YOSRLTNUOCHBEA-UHFFFAOYSA-M
External Identifiers	ChEMBL [N/A]; PubChem [13909679];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC6002
Formula: C27H30O16

Common Name	Panasenoside
IUPAC Name	3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Canonical SMILES	OCC1OC(Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O
Standard InCHI	InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2
Standard InCHIKey	LKZDFKLGDGSGEO-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1375795]; PubChem [13647412];
Reference of Component-Ingredient Pair	25869735

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC5978
Formula: C34H58O6

Common Name	Β-Sitosterol 3-O-Β-D-Glucopyranoside
IUPAC Name	2-[[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CCC3C(CCC(C(C)C)C)C)C)C2)C)C(C(C1O)O)O
Standard InCHI	InChI=1S/C34H58O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h9,19-21,23-32,35-38H,7-8,10-18H2,1-6H3
Standard InCHIKey	FWNZEKQVBDXWKA-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [12895785];
Reference of Component-Ingredient Pair	US2013160353

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参
TCMH2662	Disporopsis fuscopicta	Zhu Gen Qi	竹根七

Ingredient ID: TCMC5881
Formula: C48H76O19

Common Name	Ginsenoside Ro
IUPAC Name	6-[[4,4,6a,6b,11,11,14b-heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Canonical SMILES	OCC1OC(OC2C(OC(C(C2O)O)C(=O)[O-])OC2CCC3(C(C2(C)C)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)OC2OC(CO)C(C(C2O)O)O)C)C)C(C(C1O)O)O
Standard InCHI	InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-35(58)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-37(33(56)32(55)36(65-41)38(59)60)66-39-34(57)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/p-1
Standard InCHIKey	NFZYDZXHKFHPGA-UHFFFAOYSA-M
External Identifiers	ChEMBL [N/A]; PubChem [12302914];
Reference of Component-Ingredient Pair	26439478

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC5332
Formula: C30H50O3

Common Name	Dammar-20 (22) E, 24-Di-Ene-3Β,6Α,12Β-Triol
IUPAC Name	(3S,6S,8R,10R,12R,14R)-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol
Canonical SMILES	CC(=CC/C=C(/C1CC[C@@]2(C1[C@H](O)CC1[C@@]2(C)C[C@@H](C2[C@]1(C)CC[C@@H](C2(C)C)O)O)C)C)C
Standard InCHI	InChI=1S/C30H50O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)25(20)21(31)16-23-28(6)14-13-24(33)27(4,5)26(28)22(32)17-30(23,29)8/h10-11,20-26,31-33H,9,12-17H2,1-8H3/b19-11+/t20?,21-,22+,23?,24+,25?,26?,28-,29-,30-/m1/s1
Standard InCHIKey	JKPOYAJYRYOGBN-LIOQCCHGSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10182941];
Reference of Component-Ingredient Pair	US2005113316

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC4956
Formula: C29H48O

Common Name	Stigmasterol
IUPAC Name	17-[(E)-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	CCC(C(C)C)/C=C/C(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(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+
Standard InCHIKey	HCXVJBMSMIARIN-CMDGGOBGSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5364569];
Reference of Component-Ingredient Pair	11799774

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC4955
Formula: C29H46O

Common Name	6-Hydroxystigmast-4-En-3-One
IUPAC Name	17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES	CCC(C(C)C)/C=C/C(C1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)C
Standard InCHI	InChI=1S/C29H46O/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/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+
Standard InCHIKey	MKGZDUKUQPPHFM-CMDGGOBGSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5364563];
Reference of Component-Ingredient Pair	7379934

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC4381
Formula: C13H20O

Common Name	Α-Ionone
IUPAC Name	(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Canonical SMILES	CC(=O)/C=C/C1C(=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+
Standard InCHIKey	UZFLPKAIBPNNCA-BQYQJAHWSA-N
External Identifiers	ChEMBL [CHEMBL472877]; PubChem [5282108];
Reference of Component-Ingredient Pair	19018595

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC4022
Formula: C29H50O

Common Name	Cholesteryl Acetate
IUPAC Name	3-ethoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Canonical SMILES	CCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C
Standard InCHI	InChI=1S/C29H50O/c1-7-30-23-15-17-28(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)29(26,6)18-16-27(24)28/h11,20-21,23-27H,7-10,12-19H2,1-6H3
Standard InCHIKey	HVJCKZFYZWPQOO-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [537290];
Reference of Component-Ingredient Pair	US7015366

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC3763
Formula: C28H48O

Common Name	Campesterol,Sitosterol
IUPAC Name	17-(5,6-dimethylheptan-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	OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCC(C(C)C)C)C)C)C1)C
Standard InCHI	InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3
Standard InCHIKey	SGNBVLSWZMBQTH-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [312822];
Reference of Component-Ingredient Pair	11413487

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参
TCMH2662	Disporopsis fuscopicta	Zhu Gen Qi	竹根七

Ingredient ID: TCMC3761
Formula: C35H60O6

Common Name	Daucosterol
IUPAC Name	2-[[17-(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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES	CCC(C(C)C)CCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC1OC(CO)C(C(C1O)O)O)C
Standard InCHI	InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3
Standard InCHIKey	NPJICTMALKLTFW-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL197711]; PubChem [296119];
Reference of Component-Ingredient Pair	11413487

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH193	Psoralea corylifolia	Bu Gu Zhi	补骨脂
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC3754
Formula: C27H42O

Common Name	4,6-Cholestadien-3-One
IUPAC Name	10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES	CC(CCCC(C1CCC2C1(C)CCC1C2C=CC2=CC(=O)CCC12C)C)C
Standard InCHI	InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3
Standard InCHIKey	XIWMRKFKSRYSIJ-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [273688];
Reference of Component-Ingredient Pair	US8716479

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC3298
Formula: C29H50O

Common Name	Γ-Sitosterol
IUPAC Name	17-(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	CCC(C(C)C)CCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(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
Standard InCHIKey	KZJWDPNRJALLNS-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [86821];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC2972
Formula: C10H12O5

Common Name	3,4,5-Trimethoxybenzoic Acid
IUPAC Name	3,4,5-trimethoxybenzoic acid
Canonical SMILES	COc1cc(cc(c1OC)OC)C(=O)[O-]
Standard InCHI	InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)/p-1
Standard InCHIKey	SJSOFNCYXJUNBT-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL377172]; PubChem [8357];
Reference of Component-Ingredient Pair	22216016

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC2918
Formula: C8H10O3

Common Name	2,6-Dimethoxyphenol
IUPAC Name	2,6-dimethoxyphenol
Canonical SMILES	COc1cccc(c1O)OC
Standard InCHI	InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
Standard InCHIKey	KLIDCXVFHGNTTM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL109652]; PubChem [7041];
Reference of Component-Ingredient Pair	23800587

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC2837
Formula: C27H46O

Common Name	Cholesterol
IUPAC Name	10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)O)C)C
Standard InCHI	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3
Standard InCHIKey	HVYWMOMLDIMFJA-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3184306]; PubChem [304];
Reference of Component-Ingredient Pair	21893507

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Ingredient ID: TCMC2834
Formula: C7H6O2

Common Name	Benzoic Acid
IUPAC Name	benzoic acid
Canonical SMILES	[O-]C(=O)c1ccccc1
Standard InCHI	InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
Standard InCHIKey	WPYMKLBDIGXBTP-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL541]; PubChem [243];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH25	Styrax benzoin	An Xi Xiang	安息香
TCMH240	Plantago depressa	Che Qian Cao	车前草
TCMH104	Paeonia lactiflora	Bai Shao	白芍
TCMH258	Paeonia obovata	Chi Shao	赤芍
TCMH430	Canavalia gladiata	Dao Dou	刀豆
TCMH2697	Rhizoma panacis majoris	Zhu Zi Shen	珠子参

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC2834	C7H6O2	Benzoic Acid	121.0289544	-0.9176	2.01	2.185	2	0	40.13	1	1	9	0
TCMC2837	C27H46O	Cholesterol	386.3548661	1.5548	4.32	10.518	1	1	20.23	5	4	28	1
TCMC2918	C8H10O3	2,6-Dimethoxyphenol	154.0629942	-0.5639	2.01	0.945	0	1	38.69	2	1	11	0
TCMC2972	C10H12O5	3,4,5-Trimethoxybenzoic Acid	211.0606485	-1.073	2.01	0.22	2	0	67.82	4	1	15	0
TCMC3298	C29H50O	Γ-Sitosterol	414.3861662	1.3	4.54	11.595	1	1	20.23	6	4	30	1
TCMC3754	C27H42O	4,6-Cholestadien-3-One	382.323566	2.6326	4.32	10.393	1	0	17.07	5	4	28	1
TCMC3761	C35H60O6	Daucosterol	576.4389896	-0.4469	4.65	10.487	6	4	99.38	9	5	41	1
TCMC3763	C28H48O	Campesterol,Sitosterol	400.3705162	1.9762	4.43	11.026	1	1	20.23	5	4	29	1
TCMC4022	C29H50O	Cholesteryl Acetate	414.3861662	2.2137	4.54	11.46	1	0	9.23	7	4	30	1
TCMC4381	C13H20O	Α-Ionone	192.1514153	2.2521	2.78	4.103	1	0	17.07	2	1	14	0
TCMC4955	C29H46O	6-Hydroxystigmast-4-En-3-One	410.3548661	1.9128	4.54	11.064	1	0	17.07	5	4	30	1
TCMC4956	C29H48O	Stigmasterol	412.3705162	1.2566	4.54	11.071	1	1	20.23	5	4	30	1
TCMC5332	C30H50O3	Dammar-20 (22) E, 24-Di-Ene-3Β,6Α,12Β-Triol	458.3759955	2.8115	4.43	7.277	3	3	60.69	3	4	33	1
TCMC5881	C48H76O19	Ginsenoside Ro	955.4902552	-3.844	4.65	4.348	19	10	314.88	10	8	67	2
TCMC5978	C34H58O6	Β-Sitosterol 3-O-Β-D-Glucopyranoside	562.4233396	0.2293	4.54	9.918	6	4	99.38	8	5	40	1
TCMC6002	C27H30O16	Panasenoside	610.1533849	-5.8117	2.67	-1.662	12	10	256.29	7	5	43	2
TCMC6040	C42H66O14	Chikusetsusaponin Iva	793.4374318	-2.0971	4.54	5.885	14	7	235.73	7	7	56	3
TCMC6701	C30H48O3	Oleanicacid	455.3525204	1.452	4.43	8.571	3	1	60.36	1	5	33	1
TCMC6851	C54H92O23	Ginsenoside Rb1	1108.602939	-4.4527	4.87	2.673	23	15	377.29	16	8	77	3
TCMC6928	C47H74O18	Pseudoginsenoside Rt1	925.4796905	-3.3333	4.65	4.591	18	9	294.65	9	8	65	2

Download Data

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Data Section	Select to Download
1. General Information of the Component
2. TCM Prescriptions with the Component
3. Putative Targets
4. Activity & References for Filtering Putative Targets
5. Ingredient Data & Chemical Structure Information (Properties, InChI, InChIkey, SMILES, etc.)

Component: Rhizoma panacis majoris 珠子参

Description of the Component

Component ID

Latin Name

English Name

Chinese Pinyin Name

中文名

TCM Properties

TCM Meridians

Therapeutic Class English

Therapeutic Class Chinese

Functions

Toxicity

Geo-authentic habitats (道地产区)

Reference

Barcode ID

Barcode Source

TCM Prescriptions with the Component

Targeted Human Proteins by the Ingredient of Component

Targeted Pathogenic Microbes by the Ingredient of Component

Ingredient Structrues

Ingredient ID: TCMC6928

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6851

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6701

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6040

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6002

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5978

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5881

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5332

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4956

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4955

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4381

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC4022

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3763

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3761

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3754

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC3298

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2972

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2918

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2837

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC2834

Occurrence of the ingredient across TCM components

Properties

Download Data