TCM-ID Component

Description of the Component

Component ID	TCMH1554
Latin Name	Rhododendron molle
English Name	Chinese azalea
Chinese Pinyin Name	Nao Yang Hua
中文名	é—¹ç¾ŠèŠ±
TCM Properties
TCM Meridians
Therapeutic Class English
Therapeutic Class Chinese
Functions	relieve rheumatic conditions, and eliminate blood stasis and alleviate pain
Toxicity	NA
Geo-authentic habitats (道地产区)	NA
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	ITSAL4577-14
Barcode Source	BOLDSYSTEMS

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMFx3678	Guan Jie Jie Tong Ointment	å…³èŠ‚è§£ç—›è†
TCMFx167	Liu Wei Mu Xiang Powder	å…å‘³æœ¨é¦™æ•£
TCMFx448	Sheng Fa Cha Ji	ç”Ÿå‘æ½å‰‚
TCMFx5652	Sheng Fa Ding	ç”Ÿå‘é…Š
TCMFx5160	Sun Shang Zhi Tong Ointment	æŸä¼¤æ¢ç—›è†
TCMFx5913	Tong Qiao Powder	é€šçªæ•£
TCMFx5192	Wo Long Powder	å§é¾™æ•£
TCMFx6640	Zhi Tong Decoction	æ¢ç—›æ°´

Targeted Human Proteins by the Ingredient of Component

Target ID	Gene Symbol	Target Name	Target Class	Uniprot ID
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT41	IDH1	Isocitrate dehydrogenase [NADP] cytoplasmic	Oxidoreductase	O75874
TCMT636	POLA1	DNA polymerase alpha subunit	Transferase	P09884

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1218	Staphylococcus aureus
TCMT1246	Escherichia coli
TCMT1412	Salmonella typhimurium

Ingredient Structrues

Ingredient ID: TCMC902
Formula: C27H46O

Common Name	Cholesterol
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-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(CCC[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)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/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Standard InCHIKey	HVYWMOMLDIMFJA-DPAQBDIFSA-N
External Identifiers	ChEMBL [CHEMBL112570]; PubChem [5997];
Reference of Component-Ingredient Pair	29968805

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1987	Silybum marianum	Shui Fei Ji	æ°´é£žè“Ÿ
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±
TCMH1033	Centella asiatica	Ji Xue Cao	ç§¯é›ªè‰
TCMH202	Bombyx mori	Can Yong	èš•è›¹
TCMH1448	Mangifera indica	Mang Guo Ye	èŠ’æžœå¶
TCMH943	Rhizoma dioscoreae	Huai Shan Yao	æ·®å±±è¯
TCMH1734	Homo sapiens	Ren Zhong Bai	äººä¸ç™½
TCMH75	Bombyx mori	Bai Jiang Can	ç™½åƒµèš•
TCMH197	Bombyx mori	Can E	èš•è›¾
TCMH200	Bombyx mori	Can Jian	èš•èŒ§
TCMH201	Bombyx mori	Can Sha	èš•ç ‚
TCMH2367	Linum usitatissimum	Ya Ma Zi	äºšéº»å
TCMH2469	Fritillaria pallidiflora	Yi Bei Mu	ä¼Šè´æ¯
TCMH2134	Smilax glabra	Tu Fu Ling	åœŸèŒ¯è‹“
TCMH2710	Homo sapiens	Zi He Che	ç´«æ²³è½¦
TCMH2206	Schisandra chinensis	Wu Wei Zi Liu Jin Gao	äº”å‘³åæµæµ¸è†
TCMH2278	Abrus precatorius	Xiang Si Zi	ç›¸æ€å
TCMH2624	Anemarrhena asphodeloides	Zhi Mu	çŸ¥æ¯
TCMH2277	Abrus precatorius	Xiang Si Teng	ç›¸æ€è—¤
TCMH2202	Schisandra chinensis	Wu Wei Zi	äº”å‘³å
TCMH2203	Schisandra chinensis	Wu Wei Zi Chun Jin Gao	äº”å‘³åé†‡æµ¸è†
TCMH2204	Schisandra chinensis	Wu Wei Zi Jin Chu Wu	äº”å‘³åæµ¸å‡ºç‰©
TCMH2205	Schisandra chinensis	Wu Wei Zi Jin Gao	äº”å‘³åæµ¸è†

Ingredient ID: TCMC7110
Formula: C22H34O7

Common Name	Rhodojaponin Ii
IUPAC Name	[(1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-4,10,15,17-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-3-yl] acetate
Canonical SMILES	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@@H]1[C@H]2O1)(C)O)(C)O
Standard InCHI	InChI=1S/C22H34O7/c1-10(23)28-13-8-21-9-19(4,25)11(16(21)24)6-7-12(21)20(5,26)15-14-17(29-14)18(2,3)22(13,15)27/h11-17,24-27H,6-9H2,1-5H3/t11-,12+,13-,14+,15+,16-,17+,19-,20-,21+,22-/m1/s1
Standard InCHIKey	FJISLLRXVSQIES-JOIIKWRGSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101306702];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC6424
Formula: C20H34O7

Common Name	Rhodomollein Xiv
IUPAC Name	(1R,2R,3S,4R,5R,7R,8R,10S,12R,13R,16R)-2,6,6,12-tetramethyltetracyclo[8.5.1.03,7.013,16]hexadecane-2,4,5,7,8,10,12-heptol
Canonical SMILES	O[C@@H]1[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H]3[C@@](C[C@H]([C@@]2(C([C@H]1O)(C)C)O)O)(O)C[C@@]4(C)O
Standard InCHI	InChI=1S/C20H34O7/c1-16(2)15(23)13(22)14-18(4,25)10-6-5-9-12(10)19(26,8-17(9,3)24)7-11(21)20(14,16)27/h9-15,21-27H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,14+,15+,17-,18-,19+,20-/m1/s1
Standard InCHIKey	IXAODJOYDZCKBG-QVHXAIQXSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21593933];
Reference of Component-Ingredient Pair	15568787

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC6397
Formula: C20H26O13

Common Name	5-Methoxyphthalide 7-O-Î’-Xylopyranosyl-(1â†’6)-Î’-Glucopyranoside
IUPAC Name	5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-2-benzofuran-1-one
Canonical SMILES	COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)c2c(c1)COC2=O
Standard InCHI	InChI=1S/C20H26O13/c1-28-8-2-7-4-29-18(27)12(7)10(3-8)32-20-17(26)15(24)14(23)11(33-20)6-31-19-16(25)13(22)9(21)5-30-19/h2-3,9,11,13-17,19-26H,4-6H2,1H3/t9-,11-,13+,14-,15+,16-,17-,19+,20-/m1/s1
Standard InCHIKey	DKVLVQWIOXMARM-AGDMACJHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21575198];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC6396
Formula: C21H30O13

Common Name	Everninic Acid Methyl Ester 2-O-Î’-Xylopyranosyl-(1â†’6)-Î’-Glucopyranoside
IUPAC Name	methyl 4-methoxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
Canonical SMILES	COc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)c(c(c1)C)C(=O)OC
Standard InCHI	InChI=1S/C21H30O13/c1-8-4-9(29-2)5-11(13(8)19(28)30-3)33-21-18(27)16(25)15(24)12(34-21)7-32-20-17(26)14(23)10(22)6-31-20/h4-5,10,12,14-18,20-27H,6-7H2,1-3H3/t10-,12-,14+,15-,16+,17-,18-,20+,21-/m1/s1
Standard InCHIKey	FAHZFAAXVJFWQX-HUGBWCBVSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21575197];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC6369
Formula: C20H32O6

Common Name	Rhodojaponin Iii
IUPAC Name	(1S,3R,4R,6R,8S,9S,10R,11R,14R,15R,17R)-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecane-3,4,10,15,17-pentol
Canonical SMILES	O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](O)[C@]1([C@H]([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O
Standard InCHI	InChI=1S/C20H32O6/c1-16(2)15-12(26-15)13-18(4,24)10-6-5-9-14(22)19(10,8-17(9,3)23)7-11(21)20(13,16)25/h9-15,21-25H,5-8H2,1-4H3/t9-,10+,11-,12+,13+,14-,15+,17-,18-,19+,20-/m1/s1
Standard InCHIKey	VUMZHZYKXUYIHM-GLHQSWFFSA-N
External Identifiers	ChEMBL [CHEMBL3763486]; PubChem [21151017];
Reference of Component-Ingredient Pair	2099090

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC6088
Formula: C20H32O5

Common Name	Grayanotoxin Ii
IUPAC Name	(1S,3R,4R,6S,8S,10S,13R,14R,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,14,16-pentol
Canonical SMILES	C=C1[C@@H]2CC[C@@H]3[C@H]([C@@]2(C[C@H]([C@]2([C@H]1C[C@@H](C2(C)C)O)O)O)C[C@@]3(C)O)O
Standard InCHI	InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h11-16,21-25H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15+,16+,18+,19-,20-/m0/s1
Standard InCHIKey	KEOQZUCOGXIEQR-LXFHFZRZSA-N
External Identifiers	ChEMBL [CHEMBL453542]; PubChem [14060930];
Reference of Component-Ingredient Pair	10705491

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC5732
Formula: C20H34O7

Common Name	Rhodojaponin Vi
IUPAC Name	(1S,3R,4R,6R,7R,8S,9R,10R,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,14,16-heptol
Canonical SMILES	O[C@@H]1[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@H]([C@@]3(C[C@H]([C@@]2(C([C@H]1O)(C)C)O)O)C[C@@]4(C)O)O
Standard InCHI	InChI=1S/C20H34O7/c1-16(2)15(24)12(22)13-18(4,26)10-6-5-9-14(23)19(10,8-17(9,3)25)7-11(21)20(13,16)27/h9-15,21-27H,5-8H2,1-4H3/t9-,10+,11-,12-,13+,14-,15+,17-,18-,19+,20-/m1/s1
Standard InCHIKey	OIRQCTPPDJLTNN-IVXIYUMGSA-N
External Identifiers	ChEMBL [CHEMBL3763411]; PubChem [11581815];
Reference of Component-Ingredient Pair	24453183

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC5708
Formula: C22H36O7

Common Name	Rhodomollein Xiii
IUPAC Name	[(1S,3R,4R,6S,8S,9R,10R,13R,14R,16R)-4,6,9,14,16-pentahydroxy-5,5,9,14-tetramethyl-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
Canonical SMILES	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H](C2)O)(C)O)(C)O
Standard InCHI	InChI=1S/C22H36O7/c1-11(23)29-16-9-21-10-19(4,26)12(17(21)25)6-7-13(21)20(5,27)14-8-15(24)18(2,3)22(14,16)28/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20-,21+,22+/m1/s1
Standard InCHIKey	FAQBWQCBGONEEW-VGBBEZPXSA-N
External Identifiers	ChEMBL [N/A]; PubChem [11464082];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC5704
Formula: C22H34O7

Common Name	Rhodomollein Xii
IUPAC Name	[(1S,3R,4R,6R,7R,8R,10S,13R,14R,16R)-4,6,7,14,16-pentahydroxy-5,5,14-trimethyl-9-methylidene-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
Canonical SMILES	CC(=O)O[C@@H]1C[C@]23C[C@@]([C@@H]([C@H]3O)CC[C@H]2C(=C)[C@H]2[C@@]1(O)C(C)(C)[C@H]([C@@H]2O)O)(C)O
Standard InCHI	InChI=1S/C22H34O7/c1-10-12-6-7-13-17(25)21(12,9-20(13,5)27)8-14(29-11(2)23)22(28)15(10)16(24)18(26)19(22,3)4/h12-18,24-28H,1,6-9H2,2-5H3/t12-,13+,14+,15+,16+,17+,18-,20+,21-,22+/m0/s1
Standard InCHIKey	GNHZNTQMUDZLBA-WJISHZKOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [11452603];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC5626
Formula: C22H36O8

Common Name	Rhodomollein Xi
IUPAC Name	[(1S,3R,4R,6R,7R,8S,9R,10R,13R,14R,16R)-4,6,7,9,14,16-hexahydroxy-5,5,9,14-tetramethyl-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
Canonical SMILES	CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]2[C@@]1(O)C(C)(C)[C@H]([C@@H]2O)O)(C)O)(C)O
Standard InCHI	InChI=1S/C22H36O8/c1-10(23)30-13-8-21-9-19(4,27)11(16(21)25)6-7-12(21)20(5,28)15-14(24)17(26)18(2,3)22(13,15)29/h11-17,24-29H,6-9H2,1-5H3/t11-,12+,13-,14-,15+,16-,17+,19-,20-,21+,22-/m1/s1
Standard InCHIKey	VNEMCNXMJWNLDK-UUEDXLEJSA-N
External Identifiers	ChEMBL [N/A]; PubChem [11201193];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC5618
Formula: C20H32O6

Common Name	Rhodomollein Ix
IUPAC Name	(1R,3R,4R,6R,7R,8S,9R,10R,13S,16R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol
Canonical SMILES	C=C1C[C@@]23[C@@H]([C@H]1CC[C@H]3[C@@](C)(O)[C@H]1[C@@]([C@@H](C2)O)(O)C(C)(C)[C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C20H32O6/c1-9-7-19-8-12(21)20(26)14(13(22)16(24)17(20,2)3)18(4,25)11(19)6-5-10(9)15(19)23/h10-16,21-26H,1,5-8H2,2-4H3/t10-,11-,12+,13+,14-,15+,16-,18+,19+,20+/m0/s1
Standard InCHIKey	HZWINBBXACEGLP-UMDSJNQESA-N
External Identifiers	ChEMBL [N/A]; PubChem [11176108];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC5610
Formula: C20H32O6

Common Name	Rhodomollein X
IUPAC Name	(1S,3R,4R,6R,7R,8S,9R,10R,13S,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6,7,9,16-hexol
Canonical SMILES	CC1=C[C@@]23[C@@H]([C@H]1CC[C@H]3[C@@](C)(O)[C@H]1[C@@]([C@@H](C2)O)(O)C(C)(C)[C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C20H32O6/c1-9-7-19-8-12(21)20(26)14(13(22)16(24)17(20,2)3)18(4,25)11(19)6-5-10(9)15(19)23/h7,10-16,21-26H,5-6,8H2,1-4H3/t10-,11-,12+,13+,14-,15+,16-,18+,19+,20+/m0/s1
Standard InCHIKey	MLSUIHOULNMLCT-UMDSJNQESA-N
External Identifiers	ChEMBL [N/A]; PubChem [11152852];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC5385
Formula: C15H20O10

Common Name	Glucosyringic Acid
IUPAC Name	3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Canonical SMILES	OC[C@H]1O[C@@H](Oc2c(OC)cc(cc2OC)C(=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C15H20O10/c1-22-7-3-6(14(20)21)4-8(23-2)13(7)25-15-12(19)11(18)10(17)9(5-16)24-15/h3-4,9-12,15-19H,5H2,1-2H3,(H,20,21)/p-1/t9-,10-,11+,12-,15+/m1/s1
Standard InCHIKey	BLKMDORKRDACEI-OVKLUEDNSA-M
External Identifiers	ChEMBL [N/A]; PubChem [10383888];
Reference of Component-Ingredient Pair	25335288

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC1710
Formula: C24H36O8

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@@H](OC(=O)C)[C@]1(C([C@]3(C)O)[C@H]3[C@@H](C1(C)C)O3)O)C[C@@]2(C)O
Standard InCHI	InChI=1S/C24H36O8/c1-11(25)30-15-9-23-10-21(5,27)13(18(23)31-12(2)26)7-8-14(23)22(6,28)17-16-19(32-16)20(3,4)24(15,17)29/h13-19,27-29H,7-10H2,1-6H3/t13-,14+,15-,16+,17?,18-,19+,21-,22-,23+,24-/m1/s1
Standard InCHIKey	BQXZYRJBFJGDSL-CYAKPIJTSA-N
External Identifiers	ChEMBL [CHEMBL1463056]; PubChem [12314926];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±

Ingredient ID: TCMC1555
Formula: C10H12O4

Common Name	Methyl 2-Hydroxy-4-Methoxy-6-Methylbenzoate
IUPAC Name	methyl 2-hydroxy-4-methoxy-6-methylbenzoate
Canonical SMILES	COc1cc(C)c(c(c1)O)C(=O)OC
Standard InCHI	InChI=1S/C10H12O4/c1-6-4-7(13-2)5-8(11)9(6)10(12)14-3/h4-5,11H,1-3H3
Standard InCHIKey	PFVPJOAAHSOENR-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1595401]; PubChem [596344];
Reference of Component-Ingredient Pair	23800950

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1554	Rhododendron molle	Nao Yang Hua	é—¹ç¾ŠèŠ±
TCMH1067	Glycine max	Jiang Tan	å§œç‚
TCMH397	Glycine max	Dan Dou Gu	æ·¡è±†é¼“
TCMH416	Glycine max	Dan Xiang Chi	æ·¡é¦™è±‰
TCMH515	Glycine max	Dou You	è±†æ²¹
TCMH833	Glycine max	Hei Da Dou	é»‘å¤§è±†
TCMH1059	Glycine max	Jiang	å§œ
TCMH1062	Glycine max	Jiang Gao	å§œè†
TCMH2293	Phaseolus vulgaris	Xiao Hei Dou	å°é»‘è±†

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC902	C27H46O	Cholesterol	386.35	1.5548	4.32	10.518	1	1	20.23	11	4	28	1
TCMC1555	C10H12O4	Methyl 2-Hydroxy-4-Methoxy-6-Methylbenzoate	196.07	0.1411	2.12	2.253	2	1	55.76	7	1	14	0
TCMC1710	C24H36O8		452.24	-1.082	3.22	1.374	8	3	125.82	13	5	32	0
TCMC5385	C15H20O10	Glucosyringic Acid	359.0978218	-3.2284	2.01	-1.407	7	4	157.97	6	2	25	0
TCMC5610	C20H32O6	Rhodomollein X	368.2198887	-1.708	3	-0.309	6	6	121.38	0	4	26	1
TCMC5618	C20H32O6	Rhodomollein Ix	368.2198887	-1.6541	3	-0.066	6	6	121.38	0	4	26	1
TCMC5626	C22H36O8	Rhodomollein Xi	428.2410181	-2.2276	3	0.045	8	6	147.68	2	4	30	1
TCMC5704	C22H34O7	Rhodomollein Xii	410.2304534	-1.2348	3.11	0.452	7	5	127.45	2	4	29	0
TCMC5708	C22H36O7	Rhodomollein Xiii	412.2461035	-1.4613	3.11	0.646	7	5	127.45	2	4	29	0
TCMC5732	C20H34O7	Rhodojaponin Vi	386.2304534	-2.6067	2.89	-0.266	7	7	141.61	0	4	27	1
TCMC6088	C20H32O5	Grayanotoxin Ii	352.2249741	-0.8476	3.11	0.742	5	5	101.15	0	4	25	0
TCMC6369	C20H32O6	Rhodojaponin Iii	368.2198887	-1.8402	3	0.323	6	5	113.68	0	5	26	0
TCMC6396	C21H30O13	Everninic Acid Methyl Ester 2-O-Î’-Xylopyranosyl-(1â†’6)-Î’-Glucopyranoside	490.168641	-2.842	2.34	-0.578	11	6	193.83	8	3	34	2
TCMC6397	C20H26O13	5-Methoxyphthalide 7-O-Î’-Xylopyranosyl-(1â†’6)-Î’-Glucopyranoside	474.1373409	-3.5747	2.23	-1.422	11	6	193.83	6	4	33	2
TCMC6424	C20H34O7	Rhodomollein Xiv	386.2304534	-2.8431	2.89	-0.244	7	7	141.61	0	4	27	1
TCMC7110	C22H34O7	Rhodojaponin Ii	410.2304534	-1.4611	3.11	0.634	7	4	119.75	2	5	29	0

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: Rhododendron molle é—¹ç¾ŠèŠ±

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: TCMC902

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7110

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6424

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6397

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6396

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6369

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6088

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5732

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5708

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5704

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5626

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5618

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5610

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5385

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1710

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC1555

Occurrence of the ingredient across TCM components

Properties

Download Data