TCM-ID Component

Description of the Component

Component ID	TCMH249
Latin Name	Aquilaria agallocha
English Name	Eaglewood
Chinese Pinyin Name	Chen Xiang
中文名	沉香
TCM Properties	Warm,Pungent,Bitter
TCM Meridians	Spleen,Stomach,Kidney
Therapeutic Class English	Regulation of qi
Therapeutic Class Chinese	理气
Functions	promote the flow of qi and relieve pain, arrest vomiting by warming the stomach, and relieve asthma
Toxicity	NA
Geo-authentic habitats (道地产区)	Hainan Province
Reference	Chinese Pharmacopoeia (2015)
Barcode ID	KU879012
Barcode Source	GenBank

TCM Prescriptions with the Component

Prescription ID	Prescription English Name	Prescription Chinese Name
TCMF2931	An Kang Xin Bao Pills	安康心宝丸
TCMFx2918	An Kun Zan Yu Pills	安坤赞育丸
TCMF1351	Antiasthmatic Pill of Perilla Fruit	苏子降气丸
TCMF2220	Antiasthmatic Pill of Perilla Fruit	苏子降气丸
TCMFx2965	Ba Bao Jing Feng Powder	八宝惊风散
TCMF2604	Babao Kunshun Pills	八宝坤顺丸
TCMF1429	Babao Kunshun Pills	八宝坤顺丸
TCMFx3136	Bai Cao You	百草油
TCMF3028	Bai Kou Tiao Zhong Pills	白蔻调中丸
TCMFx3202	Bao Bao Niu Huang Powder	宝宝牛黄散
TCMFx1332	Bawei Chenxiang Powder	八味沉香散
TCMFx2098	Bawei Chenxiang Powder	八味沉香散
TCMF1326	Bawei Qingxin Chenxiang Powder	八味清心沉香散
TCMF2087	Bawei Qingxin Chenxiang Powder	八味清心沉香散
TCMFx329	Bei Ling Capsule	贝羚胶囊
TCMFx3549	Bei Ling Powder	贝羚散
TCMFx4593	Bi Wen Tablets	辟瘟片
TCMFx2415	Black Xi Pill	黑锡丹
TCMFx2566	Bolus of Storax; Liquidambar Pill	苏和香丸
TCMFx3026	Chan Hou Bu Pills	产后补丸
TCMFx6865	Chen Xiang Hua Qi Capsules	沉香化气胶囊
TCMF3146	Chen Xiang Hua Qi Tablets	沉香化气片
TCMF3155	Chen Xiang Hua Zhi Pills	沉香化滞丸
TCMF3170	Chen Xiang Li Qi Pills	沉香利气丸
TCMF3163	Chen Xiang Li Qi Pills	沉香理气丸
TCMF3187	Chen Xiang Powder	沉香散
TCMF3179	Chen Xiang Qu	沉香曲
TCMFx3195	Chen Xiang Shu Qi Pills	沉香舒气丸
TCMF3211	Chen Xiang Shu Yu Pills	沉香舒郁丸
TCMF3203	Chen Xiang Shu Yu Tablets	沉香舒郁片
TCMF2303	Chenxiang Huaqi Pills	沉香化气丸
TCMF1369	Chenxiang Huaqi Pills	沉香化气丸
TCMFx3306	Chu Feng Jing	雏凤精
TCMFx3771	Da Huo Luo Pills	大活络丸
TCMF2044	Decoction for Warming Liver	暖肝煎
TCMFx3320	Dian She Pills	点舌丸
TCMF3465	Ding Chen Tou Ge Pills	丁沉透膈丸
TCMFx1656	Eliminating Phlegm Evil Pills	滚痰丸
TCMFx2626	Ershiwuwei Shanhu Pills	二十五味珊瑚丸
TCMFx1446	Ershiwuwei Shanhu Pills	二十五味珊瑚丸
TCMF2625	Ershiwuwei Zhenzhu Pills	二十五味珍珠丸
TCMF1445	Ershiwuwei Zhenzhu Pills	二十五味珍珠丸
TCMF3129	Fa Ban Xia Qu	法制半夏曲
TCMF3161	Fang Shuai Yi Shou Pills	防衰益寿丸
TCMFx3644	Fo Shan Ren Shen Zai Zao Pills	佛山人参再造丸
TCMFx3635	Fo Shan Ren Shen Zai Zao Tablets	佛山人参再造片
TCMF3371	Fu Fang Zhi Jin Gan Infusion	复方制金柑冲剂
TCMFx3886	Fu Ke Ning Kun Pills	妇科宁坤丸
TCMFx3916	Fu Ke Tong Jing Pills	妇科通经丸
TCMFx7240	Fu Ning Capsules	妇宁胶囊
TCMF7241	Fu Ning Granules	妇宁颗粒
TCMFx3037	Fu Ning Pills	妇宁丸
TCMFx2568	Fuke Tongjing Pills	妇科通经丸
TCMFx1415	Fuke Tongjing Pills	妇科通经丸
TCMFx3937	Gao Xue Ya Su Jiang Pills	高血压速降丸
TCMFx3377	Gu Lou Shan Die Da Pills	古楼山跌打丸
TCMFx3369	Gu Lou Shan Die Da Wine	古楼山跌打酒
TCMFx478	Gua Shuang Tui Re Ling Capsule	瓜霜退热灵胶囊
TCMFx3654	Gua Shuang Tui Re Ling Capsules	瓜霜退热灵胶囊
TCMFx4075	Gui Lu Zi Shen Pills	龟鹿滋肾丸
TCMFx4090	Hai Long Ge Jie Oral Liquid	海龙蛤蚧口服液
TCMFx4350	He Wei Ping Gan Pills	和胃平肝丸
TCMFx2594	Hear Clearng Decoction
TCMFx4420	Hei Xi Dan	黑锡丹
TCMF4426	Heng Zhi Ke Chuan Capsules	恒制咳喘胶囊
TCMF4497	Hong Mao Yao Wine	鸿茅药酒
TCMFx4573	Hou Tong Pills	喉痛丸
TCMFx4742	Hu Po Hua Tan Zhen Jing Pills	琥珀化痰镇惊丸
TCMFx4216	Hui Chun Dan	回春丹
TCMFx4264	Hui Sheng Zai Zao Pills	回生再造丸
TCMFx4274	Hui Tian Zai Zao Pills	回天再造丸
TCMFx4325	Huo Luo Pills	活络丸
TCMFx4285	Jian Shen Quan Lu Pills	健身全鹿丸
TCMF6925	Jie Bai Capsules	洁白胶囊
TCMF1410	Jiebai Pills	洁白丸
TCMF2556	Jiebai Pills	洁白丸
TCMFx4446	Jing Zhi Hou San Zao	精制猴散枣
TCMFx5	Jiu Xiang Zhi Tong Pills	九香止痛丸
TCMF4864	Kai Yu Shun Qi Pills	开郁顺气丸
TCMFx4569	Kuan Xiong Shu Qi Hua Zhi Pills	宽胸舒气化滞丸
TCMF4676	Kun Shun Pills	坤顺丸
TCMF4870	Li Qi Shu Xin Tablets	理气舒心片
TCMF2475	Liver-Soothing Bolus	舒肝丸
TCMF1393	Liver-Soothing Bolus	舒肝丸
TCMFx4948	Lv E Dian She Pills	绿萼点舌丸
TCMFx999	Mei Hua Dian She Pills	梅花点舌丸
TCMFx2533	Meihua Dianshe Pills
TCMFx4392	Meng Shi Gun Tan Tablets	礞石滚痰片
TCMFx1690	Mengshi Guntan Pills	礞石滚痰丸
TCMFx1245	Mengshi Guntan Pills; Chlorite Phlegm Eliminating Pill	礞石滚痰丸
TCMFx4415	Mi Zhi Shu Gan Pills	秘制舒肝丸
TCMFx2426	Mother of Pearl Pills	珍珠母丸
TCMF4876	Ning Kun Pills	宁坤丸
TCMFx4194	Niu Huang Qing Fei Powder	牛黄清肺散
TCMFx2848	Nuan Gan Decoction	暖肝煎
TCMFx4364	Nuan Qi Ointment	暖脐膏
TCMFx55	Nuan Qi Ointment	暖脐膏
TCMFx2508	Nuanqi Plaster	暖脐膏
TCMFx4378	Nv Bao Capsules	女宝胶囊
TCMFx4413	Nv Sheng Jin Dan	女胜金丹
TCMF2632	Oral Liquid of Chicken Fetus	雏凤精
TCMFx2634	Oral Liquid of Sea Dragon and Gecko	海龙蛤蚧精
TCMF4601	Pian Tan Fu Yuan Pills	偏瘫复元丸
TCMF469	Piao Chen Hua Yu Pills	朴沉化郁丸
TCMFx2600	Pill for Infantile Convulsion	回春丹
TCMFx4629	Ping Gan Shu Luo Pills	平肝舒络丸
TCMF1400	Pinggan Shuluo Pills	平肝舒络丸
TCMF2500	Pinggan Shuluo Pills	平肝舒络丸
TCMFx2019	Powder of Fritillary Bulb and Antelope's Horn	贝苓散
TCMF4714	Pu Chen Hua Yu Pills	朴沉化郁丸
TCMFx2535	Purple Snowy Powder	紫雪丹
TCMF2195	Qi Long Prostate Decoction
TCMFx4801	Qi Xiang Zhi Tong Pills	七香止痛丸
TCMF2474	Qi-Regulating and Heart-Soothing Tablet	理气舒心片
TCMFx69	Qing Hou Li Yan Granules	清喉利咽颗粒
TCMFx5252	Qing Hou Li Yan Granules	清喉利咽颗粒
TCMF5333	Qing Jin Ning Fei Pills	清金宁肺丸
TCMF5792	Qing Xian Kuai Ge Pills	清涎快隔丸
TCMFx5806	Qing Xin Gun Tan Pills	清心滚痰丸
TCMFx80	Qing Xuan Zhi Tan Pills	清眩治瘫丸
TCMFx5864	Qing Xuan Zhi Tan Pills	清眩治瘫丸
TCMFx1306	Qiwei Guangzao Pills	七味广枣丸
TCMFx1984	Qiwei Guangzao Pills	七味广枣丸
TCMF5069	Qu Feng Su He Pills	驱风苏合丸
TCMF5278	Quan Lu Da Bu Pills	全鹿大补丸
TCMFx5288	Quan Lu Pills	全鹿丸
TCMFx5475	Ren Shen Nv Jin Pills	人参女金丸
TCMFx5537	Ren Shen Zai Zao Pills	人参再造丸
TCMFx1353	Renqing Changjue Pills	仁青常觉
TCMFx2224	Renqing Changjue Pills	仁青常觉
TCMFx5575	Rong Kun Pills	茸坤丸
TCMFx5871	San Bian Bu Wine	三鞭补酒
TCMFx3204	Shen Gui Lu Rong Pills	参桂鹿茸丸
TCMF3566	Shen Rong Ge Jie Bao Shen Pills	参茸蛤蚧保肾丸
TCMFx3574	Shen Rong Hei Xi Pills	参茸黑锡丸
TCMFx3597	Shen Rong Lu Tai Ointment	参茸鹿胎膏
TCMF3671	Shen Rong Wei Sheng Pills	参茸卫生丸
TCMFx3679	Shen Rong Yan Ling Tablets	参茸延龄片
TCMF5423	Shen Xiang Su He Pills	神香苏合丸
TCMF887	Shen Xiang Su He Pills	神香苏合丸
TCMF5717	Sheng Li Capsules	生力胶囊
TCMFx174	Shi Liu Wei Dong Qing Pills	十六味冬青丸
TCMF5032	Shi Xiang Ding Tong Pills	十香定痛丸
TCMFx5040	Shi Xiang Nuan Qi Ointment	十香暖脐膏
TCMFx5145	Shi Yi Jiu Ji Pills	时疫救急丸
TCMFx1420	Shiwuwei Chenxiang Pills	十五味沉香丸
TCMFx2579	Shiwuwei Chenxiang Pills	十五味沉香丸
TCMF2617	Shixiang Fansheng Pills	十香返生丸
TCMF1438	Shixiang Fansheng Pills	十香返生丸
TCMF1407	Shixiang Zhitong Pills	十香止痛丸
TCMF5272	Shu Gan Bao Kun Pills	舒肝保坤丸
TCMF5335	Shu Gan Diao Qi Pills	舒肝调气丸
TCMFx5345	Shu Gan Pills	舒肝丸
TCMFx5318	Shu Gan Tablets	舒肝片
TCMFx5556	Shu Yu Jiu Bao Pills	舒郁九宝丸
TCMFx5789	Shun Qi Xiao Shi Hua Tan Pills	顺气消食化痰丸
TCMFx5797	Si Fang Wei Capsules	四方胃胶囊
TCMFx449	Si Fang Wei Tablet	四方胃片
TCMFx5804	Si Fang Wei Tablets	四方胃片
TCMF5048	Su Zi Jiang Qi Pills	苏子降气丸
TCMF546	Su He Xiang Pills	苏合香丸
TCMF5215	Tai Chan Jin Pills	胎产金丸
TCMF5258	Tan Chuan Ban Xia Granules	痰喘半夏颗粒
TCMF2540	Ten Pragrant Analgesic Pills	十香止痛丸
TCMFx5906	Tong Qiao Jiu Xin You	通窍救心油
TCMF981	Tong Qiao Zhen Tong Powder	通窍镇痛散
TCMFx5051	Tong Ren Da Huo Luo Pills	同仁大活络丸
TCMF804	Wei Chang An Pills	胃肠安丸
TCMF5624	Wei Fu Granules	胃福颗粒
TCMF5650	Wei Huo Ling Tablets	胃活灵片
TCMFx5802	Wei Tong Ding	胃痛定
TCMFx5845	Wei Tong Pills	胃痛丸
TCMFx5876	Wei Yang An Capsules	胃疡安胶囊
TCMF5924	Wen Jing Pills	温经丸
TCMFx5961	Wen Shen Quan Lu Pills	温肾全鹿丸
TCMFx5986	Wen Zhong Zhen Tong Pills	温中镇痛丸
TCMFx6029	Xiao Er Jiu Sou Pills	小儿久嗽丸
TCMF241	Xiao Er Kang Xian Capsule	小儿抗痫胶囊
TCMFx6205	Xiao Er Qi Zhen Pills	小儿七珍丸
TCMFx6248	Xiao Er Qing Fei Powder	小儿清肺散
TCMFx6503	Xiao Er Zhen Bei Powder	小儿珍贝散
TCMFx6320	Xiao Shuan Zai Zao Pills	消栓再造丸
TCMFx6496	Xiao Zhong Zhi Tong Ding	消肿止痛酊
TCMFx1021	Xiao Zhong Zhi Tong Tincture	消肿止痛酊
TCMFx1124	Xin Xue Granules	新雪颗粒
TCMFx6114	Xin Xue Granules	新雪颗粒
TCMFx6122	Xin Xue Tablets	新雪片
TCMFx6167	Xing Nao Zai Zao Capsules	醒脑再造胶囊
TCMFx1177	Xing Nao Zai Zao Capsules	醒脑再造胶囊
TCMFx6174	Xing Nao Zai Zao Pills	醒脑再造丸
TCMF2266	Yang Warming and Qi Benefiting Decoction	温阳益气通脉汤
TCMF6735	Yang Xian Feng Dian Pills	羊痫疯癫丸
TCMF6429	Yu Ye Pills	玉液丸
TCMF6478	Yu Zhi Ping An Pills	御制平安丸
TCMFx470	Zai Zao Pills	再造丸
TCMF6785	Zeng Li Zai Sheng Pills	增力再生丸
TCMFx6770	Zhi Bao San Bian Capsules	至宝三鞭胶囊
TCMFx6778	Zhi Bao San Bian Jing	至宝三鞭精
TCMFx6790	Zhi Bao San Bian Pills	至宝三鞭丸
TCMFx6784	Zhi Bao San Bian Wine	至宝三鞭酒
TCMFx6810	Zhi Jin Gan Pills	制金柑丸
TCMFx6224	Zhong Feng Zai Zao Pills	中风再造丸
TCMFx6330	Zhou Shi Hui Sheng Pills	周氏回生丸
TCMFx660	Zhou Shi Hui Sheng Pills	周氏回生丸
TCMF504	Zhu Li Da Tan Pills	竹沥达痰丸
TCMF6530	Zhuang Yang Jian Wei Pills	壮阳健威丸
TCMFx120	Zi Xue Powder	紫雪散

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
TCMT116	OPRM1	Mu opioid receptor	GPCR	P35372
TCMT33	CYP3A4	Cytochrome P450 3A4	Oxidoreductase	P08684
TCMT34	CYP2D6	Cytochrome P450 2D6	Oxidoreductase	P10635

Targeted Pathogenic Microbes by the Ingredient of Component

Target ID	Target Name
TCMT1214	Enterococcus faecium
TCMT1218	Staphylococcus aureus
TCMT1223	Staphylococcus epidermidis
TCMT1251	Candida albicans
TCMT1310	Enterococcus hirae
TCMT1355	Rhodococcus equi
TCMT1439	Mycobacterium smegmatis
TCMT1454	Bacillus subtilis
TCMT1458	Filobasidiella neoformans
TCMT1463	Mycobacterium tuberculosis

Ingredient Structrues

Ingredient ID: TCMC7163
Formula: C16H24O2

Common Name	Methyl Guaia-1(10),11-Dien-15-Carboxylate
IUPAC Name	methyl (1S,7R,8aS)-1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylate
Canonical SMILES	COC(=O)C1=C2CC[C@@H]([C@@H]2C[C@@H](CC1)C(=C)C)C
Standard InCHI	InChI=1S/C16H24O2/c1-10(2)12-6-8-14(16(17)18-4)13-7-5-11(3)15(13)9-12/h11-12,15H,1,5-9H2,2-4H3/t11-,12+,15-/m0/s1
Standard InCHIKey	HOXPWZTVWIBECM-ZOWXZIJZSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101615179];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC7162
Formula: C15H22O2

Common Name	(X{2212})-Guaia-1(10),11-Dien-15-Carboxylic Acid
IUPAC Name	(1S,7R,8aS)-1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylic acid
Canonical SMILES	C[C@H]1CCC2=C(CC[C@H](C[C@@H]12)C(=C)C)C(=O)[O-]
Standard InCHI	InChI=1S/C15H22O2/c1-9(2)11-5-7-13(15(16)17)12-6-4-10(3)14(12)8-11/h10-11,14H,1,4-8H2,2-3H3,(H,16,17)/p-1/t10-,11+,14-/m0/s1
Standard InCHIKey	JNYAUBXATZXFIU-WDMOLILDSA-M
External Identifiers	ChEMBL [N/A]; PubChem [101615178];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC7161
Formula: C15H24O

Common Name	(X{2212})-Guaia-1(10),11-Dien-15-Ol
IUPAC Name	[(1S,7R,8aS)-1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulen-4-yl]methanol
Canonical SMILES	OCC1=C2CC[C@@H]([C@@H]2C[C@@H](CC1)C(=C)C)C
Standard InCHI	InChI=1S/C15H24O/c1-10(2)12-5-6-13(9-16)14-7-4-11(3)15(14)8-12/h11-12,15-16H,1,4-9H2,2-3H3/t11-,12+,15-/m0/s1
Standard InCHIKey	XDJJQGUABGVLLV-ZOWXZIJZSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101615177];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC7104
Formula: C15H20O3

Common Name	Agarol
IUPAC Name	(7R,8R,10S,11S)-11-hydroxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-dien-5-one
Canonical SMILES	CC([C@H]1CC(=O)c2c3[C@@H]1C[C@H](C)[C@@H](c3oc2)O)C
Standard InCHI	InChI=1S/C15H20O3/c1-7(2)9-5-12(16)11-6-18-15-13(11)10(9)4-8(3)14(15)17/h6-10,14,17H,4-5H2,1-3H3/t8-,9+,10+,14-/m0/s1
Standard InCHIKey	VIULXZNWHKRQPB-KSQLKPTDSA-N
External Identifiers	ChEMBL [N/A]; PubChem [101289698];
Reference of Component-Ingredient Pair	22832811

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC7047
Formula: C15H24O

Common Name	Dehydrojinkoheremol
IUPAC Name	2-[(2R,8R,8aS)-8,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalen-2-yl]propan-2-ol
Canonical SMILES	C[C@@H]1CC=CC2=CC[C@H](C[C@@]12C)C(O)(C)C
Standard InCHI	InChI=1S/C15H24O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h5,7-8,11,13,16H,6,9-10H2,1-4H3/t11-,13-,15+/m1/s1
Standard InCHIKey	WINATCPPCIWJCQ-KYOSRNDESA-N
External Identifiers	ChEMBL [N/A]; PubChem [101013578];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6994
Formula: C15H26O

Common Name	Agarospirol
IUPAC Name	2-[(3S,5S,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol
Canonical SMILES	C[C@@H]1CCC=C([C@@]21CC[C@@H](C2)C(O)(C)C)C
Standard InCHI	InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1
Standard InCHIKey	ICWHTQRTTHCUHW-VNHYZAJKSA-N
External Identifiers	ChEMBL [N/A]; PubChem [92253383];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6579
Formula: C17H18O6

Common Name	(5R,6R,7S,8R)-2-(2-Phenylethyl)-5E',6A,7E,8E'-Tetrahydroxy-5,6,7,8-Tetrahydrochromone
IUPAC Name	(5R,6R,7S,8R)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
Canonical SMILES	O[C@H]1[C@H](O)[C@H](O)c2c([C@@H]1O)oc(cc2=O)CCc1ccccc1
Standard InCHI	InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14-,15+,16-/m1/s1
Standard InCHIKey	CWMIROLCTHMEEO-LVQVYYBASA-N
External Identifiers	ChEMBL [N/A]; PubChem [23258903];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6563
Formula: C15H22O

Common Name	(X{2212})-Selina-3,11-Dien-14-Al
IUPAC Name	(4aR,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-3H-naphthalene-1-carbaldehyde
Canonical SMILES	O=CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C)C
Standard InCHI	InChI=1S/C15H22O/c1-11(2)12-6-8-15(3)7-4-5-13(10-16)14(15)9-12/h5,10,12,14H,1,4,6-9H2,2-3H3/t12-,14+,15-/m1/s1
Standard InCHIKey	HAGXJRWOGHAEIY-VHDGCEQUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [22212096];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6562
Formula: C15H22O

Common Name	(+)-Guaia-1(10),11-Dien-9-One
IUPAC Name	(1S,7S,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,6,7,8,8a-hexahydro-1H-azulen-5-one
Canonical SMILES	CC(=C)[C@@H]1CC(=O)C(=C2[C@@H](C1)[C@@H](C)CC2)C
Standard InCHI	InChI=1S/C15H22O/c1-9(2)12-7-14-10(3)5-6-13(14)11(4)15(16)8-12/h10,12,14H,1,5-8H2,2-4H3/t10-,12-,14-/m0/s1
Standard InCHIKey	YMXAKLYWISOQCM-JKOKRWQUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [22212095];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6555
Formula: C51H46O14

Common Name	Ah20
IUPAC Name	2-(2-phenylethyl)-5-[[(5S,6R,7S,8S)-5,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-6-yl]oxy]-8-[[(5S,6S,7R,8S)-6,7,8-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-5-yl]oxy]chromen-4-one
Canonical SMILES	O[C@@H]1[C@H](Oc2ccc(c3c2c(=O)cc(o3)CCc2ccccc2)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](c3c2c(=O)cc(o3)CCc2ccccc2)O)[C@@H](O)c2c([C@H]1O)oc(cc2=O)CCc1ccccc1
Standard InCHI	InChI=1S/C51H46O14/c52-33-24-30(19-16-27-10-4-1-5-11-27)61-47-37(65-50-40-35(54)26-32(21-18-29-14-8-3-9-15-29)63-49(40)43(57)42(56)44(50)58)23-22-36(38(33)47)64-51-41(55)39-34(53)25-31(62-48(39)45(59)46(51)60)20-17-28-12-6-2-7-13-28/h1-15,22-26,41-46,50-51,55-60H,16-21H2/t41-,42-,43-,44-,45-,46-,50-,51+/m0/s1
Standard InCHIKey	NFSYVFWMPSJRPR-NQKJBCGMSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21768737];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6554
Formula: C17H18O7

Common Name	5Α,6Β,7Β,8Α-Tetrahydroxy-2-[2-(2'-Hydroxy Phenyl)Ethyl]-5,6,7,8-Tetrahydrochromone
IUPAC Name	(5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-[2-(2-hydroxyphenyl)ethyl]-5,6,7,8-tetrahydrochromen-4-one
Canonical SMILES	O[C@@H]1[C@H](O)[C@@H](O)c2c([C@H]1O)oc(cc2=O)CCc1ccccc1O
Standard InCHI	InChI=1S/C17H18O7/c18-10-4-2-1-3-8(10)5-6-9-7-11(19)12-13(20)14(21)15(22)16(23)17(12)24-9/h1-4,7,13-16,18,20-23H,5-6H2/t13-,14+,15+,16-/m0/s1
Standard InCHIKey	MRBLWULZJXWLNX-JJXSEGSLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21768736];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6500
Formula: C17H18O7

Common Name	5Α,6Β,7Α,8Β-Tetrahydroxy-2-[2-(2'-Hydroxyphenyl)Ethyl]-5,6,7,8-Tetrahydrochromone
IUPAC Name	(5S,6R,7S,8R)-5,6,7,8-tetrahydroxy-2-[2-(2-hydroxyphenyl)ethyl]-5,6,7,8-tetrahydrochromen-4-one
Canonical SMILES	O[C@H]1[C@H](O)[C@@H](O)c2c([C@@H]1O)oc(cc2=O)CCc1ccccc1O
Standard InCHI	InChI=1S/C17H18O7/c18-10-4-2-1-3-8(10)5-6-9-7-11(19)12-13(20)14(21)15(22)16(23)17(12)24-9/h1-4,7,13-16,18,20-23H,5-6H2/t13-,14+,15-,16+/m0/s1
Standard InCHIKey	MRBLWULZJXWLNX-XUWVNRHRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21636051];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6499
Formula: C18H20O7

Common Name	5Α,6Β,7Β,8Α-Tetrahydroxy-2-[2-(4'-Methoxyphenyl)Ethyl]-5,6,7,8-Tetrahydrochromone
IUPAC Name	(5S,6R,7S,8R)-5,6,7,8-tetrahydroxy-2-[2-(4-methoxyphenyl)ethyl]-5,6,7,8-tetrahydrochromen-4-one
Canonical SMILES	COc1ccc(cc1)CCc1cc(=O)c2c(o1)[C@H](O)[C@H]([C@@H]([C@H]2O)O)O
Standard InCHI	InChI=1S/C18H20O7/c1-24-10-5-2-9(3-6-10)4-7-11-8-12(19)13-14(20)15(21)16(22)17(23)18(13)25-11/h2-3,5-6,8,14-17,20-23H,4,7H2,1H3/t14-,15+,16-,17+/m0/s1
Standard InCHIKey	NRDKOXSXHXTKHR-VVLHAWIVSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21636050];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6498
Formula: C26H28O11

Common Name	5Α,6Β,7Β,8Α-Tetraacetoxy-2-[2-(4'-Methoxyphenyl)Ethyl]-5,6,7,8-Tetrahydro-Chromone
IUPAC Name	[(5S,6R,7R,8S)-5,7,8-triacetyloxy-2-[2-(4-methoxyphenyl)ethyl]-4-oxo-5,6,7,8-tetrahydrochromen-6-yl] acetate
Canonical SMILES	COc1ccc(cc1)CCc1cc(=O)c2c(o1)[C@@H](OC(=O)C)[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C
Standard InCHI	InChI=1S/C26H28O11/c1-13(27)33-22-21-20(31)12-19(11-8-17-6-9-18(32-5)10-7-17)37-23(21)25(35-15(3)29)26(36-16(4)30)24(22)34-14(2)28/h6-7,9-10,12,22,24-26H,8,11H2,1-5H3/t22-,24+,25+,26+/m0/s1
Standard InCHIKey	WCNDTJXYXMMJDP-DZWGLGNASA-N
External Identifiers	ChEMBL [N/A]; PubChem [21636049];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6497
Formula: C17H18O6

Common Name	Isoagarotetrol
IUPAC Name	(5S,6R,7S,8R)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
Canonical SMILES	O[C@H]1[C@H](O)[C@@H](O)c2c([C@@H]1O)oc(cc2=O)CCc1ccccc1
Standard InCHI	InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15-,16+/m0/s1
Standard InCHIKey	CWMIROLCTHMEEO-XUWVNRHRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21636029];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6480
Formula: C15H26O2

Common Name	4-Hydroxydihydroagarofuran
IUPAC Name	(1R,2R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol
Canonical SMILES	CC1(C)O[C@@]23C[C@H]1CC[C@]3(C)CCC[C@@]2(C)O
Standard InCHI	InChI=1S/C15H26O2/c1-12(2)11-6-9-13(3)7-5-8-14(4,16)15(13,10-11)17-12/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15-/m1/s1
Standard InCHIKey	XEAXSPJWIVZRTF-FAAHXZRKSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21632942];
Reference of Component-Ingredient Pair	US6486201

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6423
Formula: C15H26O

Common Name	Dihydroagarofuran
IUPAC Name	(1S,2R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane
Canonical SMILES	C[C@@H]1CCC[C@@]2([C@@]31C[C@H](C(O3)(C)C)CC2)C
Standard InCHI	InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12-,14+,15+/m1/s1
Standard InCHIKey	HVAVUZLEYSAYGE-UXOAXIEHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21593552];
Reference of Component-Ingredient Pair	22148431

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6378
Formula: C16H24O2

Common Name	(+)-Methyl Selina-4,11-Dien-14-Oate
IUPAC Name	methyl (4aR,7R)-4a-methyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalene-1-carboxylate
Canonical SMILES	COC(=O)C1=C2C[C@@H](CC[C@]2(CCC1)C)C(=C)C
Standard InCHI	InChI=1S/C16H24O2/c1-11(2)12-7-9-16(3)8-5-6-13(14(16)10-12)15(17)18-4/h12H,1,5-10H2,2-4H3/t12-,16-/m1/s1
Standard InCHIKey	NOROUGKWGGCQMD-MLGOLLRUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21159115];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6377
Formula: C16H24O2

Common Name	(X{2212})-Methyl Selina-3,11-Dien-14-Oate
IUPAC Name	methyl (4aR,7R,8aR)-4a-methyl-7-prop-1-en-2-yl-4,5,6,7,8,8a-hexahydro-3H-naphthalene-1-carboxylate
Canonical SMILES	COC(=O)C1=CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C)C
Standard InCHI	InChI=1S/C16H24O2/c1-11(2)12-7-9-16(3)8-5-6-13(14(16)10-12)15(17)18-4/h6,12,14H,1,5,7-10H2,2-4H3/t12-,14+,16-/m1/s1
Standard InCHIKey	IWKUFNFEQJRATO-IVMMDQJWSA-N
External Identifiers	ChEMBL [N/A]; PubChem [21159114];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6255
Formula: C15H24O

Common Name	Β-Agarofuran
IUPAC Name	(1S,6S,9R)-6,10,10-trimethyl-2-methylidene-11-oxatricyclo[7.2.1.01,6]dodecane
Canonical SMILES	C=C1CCC[C@@]2([C@@]31C[C@H](C(O3)(C)C)CC2)C
Standard InCHI	InChI=1S/C15H24O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h12H,1,5-10H2,2-4H3/t12-,14+,15+/m1/s1
Standard InCHIKey	XWTXUKLVEPDOQT-SNPRPXQTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [15558511];
Reference of Component-Ingredient Pair	17599283

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6215
Formula: C18H20O6

Common Name	5Α,6Β,7Β-Trihydroxy-8Α-Methoxy-2-(2-Phenylethyl)-5,6,7,8-Tetrahydro Chromone
IUPAC Name	(5S,6R,7R,8S)-5,6,7-trihydroxy-8-methoxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
Canonical SMILES	CO[C@H]1[C@H](O)[C@H](O)[C@H](c2c1oc(CCc1ccccc1)cc2=O)O
Standard InCHI	InChI=1S/C18H20O6/c1-23-18-16(22)15(21)14(20)13-12(19)9-11(24-17(13)18)8-7-10-5-3-2-4-6-10/h2-6,9,14-16,18,20-22H,7-8H2,1H3/t14-,15+,16+,18-/m0/s1
Standard InCHIKey	SJVLITUOIFWQGB-LHHMISFZSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14889343];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6206
Formula: C15H22O

Common Name	(X{2212})-Guaia-1(10),11-Dien-15-Al
IUPAC Name	(1S,7R,8aS)-1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carbaldehyde
Canonical SMILES	O=CC1=C2CC[C@@H]([C@@H]2C[C@@H](CC1)C(=C)C)C
Standard InCHI	InChI=1S/C15H22O/c1-10(2)12-5-6-13(9-16)14-7-4-11(3)15(14)8-12/h9,11-12,15H,1,4-8H2,2-3H3/t11-,12+,15-/m0/s1
Standard InCHIKey	BEDIGDJDGGJUFI-ZOWXZIJZSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14779593];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6130
Formula: C34H30O8

Common Name	(5S,6R,7R,8S)-2-(2-Phenylethyl)-5,6,7-Tri-Hydroxy-5,6,7,8-Tetrahydro-8-[2-(2-Phenylethyl)Chromonyl-6-Oxy]Chromone (Ah13)
IUPAC Name	2-(2-phenylethyl)-6-[[(5S,6R,7R,8S)-5,6,7-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-8-yl]oxy]chromen-4-one
Canonical SMILES	O[C@@H]1[C@H](O)[C@@H](O)c2c([C@H]1Oc1ccc3c(c1)c(=O)cc(o3)CCc1ccccc1)oc(cc2=O)CCc1ccccc1
Standard InCHI	InChI=1S/C34H30O8/c35-26-18-23(13-11-20-7-3-1-4-8-20)40-28-16-15-22(17-25(26)28)42-34-32(39)31(38)30(37)29-27(36)19-24(41-33(29)34)14-12-21-9-5-2-6-10-21/h1-10,15-19,30-32,34,37-39H,11-14H2/t30-,31+,32+,34-/m0/s1
Standard InCHIKey	JFANYIGTUNUOBD-HCACAHHJSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14283395];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6129
Formula: C35H32O9

Common Name	(5S,6S,7R,8S)-2-(2-Phenylethyl)-5,6,7-Trihydroxy-5,6,7,8-Tetrahydro-8-[2-(2-Phenylethyl)-7-Methoxychromonyl-6-Oxy]Chromone (Ah12)
IUPAC Name	7-methoxy-2-(2-phenylethyl)-6-[[(5S,6R,7R,8S)-5,6,7-trihydroxy-4-oxo-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-8-yl]oxy]chromen-4-one
Canonical SMILES	COc1cc2oc(CCc3ccccc3)cc(=O)c2cc1O[C@H]1[C@H](O)[C@H](O)[C@H](c2c1oc(CCc1ccccc1)cc2=O)O
Standard InCHI	InChI=1S/C35H32O9/c1-41-28-19-27-24(25(36)16-22(42-27)14-12-20-8-4-2-5-9-20)18-29(28)44-35-33(40)32(39)31(38)30-26(37)17-23(43-34(30)35)15-13-21-10-6-3-7-11-21/h2-11,16-19,31-33,35,38-40H,12-15H2,1H3/t31-,32+,33+,35-/m0/s1
Standard InCHIKey	SHHOMFKZZGOOGN-ZCUZWMQKSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14283393];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC6072
Formula: C15H22O

Common Name	(X{2212})-Selina-3,11-Dien-9-One
IUPAC Name	(3S,4aS,8aS)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydronaphthalen-1-one
Canonical SMILES	CC1=CCC[C@]2([C@H]1C[C@@H](CC2=O)C(=C)C)C
Standard InCHI	InChI=1S/C15H22O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)14(16)9-12/h6,12-13H,1,5,7-9H2,2-4H3/t12-,13-,15-/m0/s1
Standard InCHIKey	NCURUZQWQGIRTM-YDHLFZDLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [14018871];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5999
Formula: C17H18O6

Common Name	Agarotetrol
IUPAC Name	(5S,6R,7R,8S)-5,6,7,8-tetrahydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
Canonical SMILES	O[C@@H]1[C@H](O)[C@@H](O)c2c([C@H]1O)oc(cc2=O)CCc1ccccc1
Standard InCHI	InChI=1S/C17H18O6/c18-11-8-10(7-6-9-4-2-1-3-5-9)23-17-12(11)13(19)14(20)15(21)16(17)22/h1-5,8,13-16,19-22H,6-7H2/t13-,14+,15+,16-/m0/s1
Standard InCHIKey	CWMIROLCTHMEEO-JJXSEGSLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [13606036];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5957
Formula: C14H22O2

Common Name	Norketoagarofuran
IUPAC Name	(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
Canonical SMILES	O=C1CCC[C@@]2([C@@]31C[C@H](C(O3)(C)C)CC2)C
Standard InCHI	InChI=1S/C14H22O2/c1-12(2)10-6-8-13(3)7-4-5-11(15)14(13,9-10)16-12/h10H,4-9H2,1-3H3/t10-,13+,14+/m1/s1
Standard InCHIKey	GZGANJGCMJYOEK-SWHYSGLUSA-N
External Identifiers	ChEMBL [N/A]; PubChem [12431535];
Reference of Component-Ingredient Pair	US6486201

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5793
Formula: C15H26O3

Common Name	3,4-Dihydroxydihydroagarofuran
IUPAC Name	(1R,2R,3S,6R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane-2,3-diol
Canonical SMILES	O[C@H]1CC[C@@]2([C@@]3([C@]1(C)O)C[C@H](C(O3)(C)C)CC2)C
Standard InCHI	InChI=1S/C15H26O3/c1-12(2)10-5-7-13(3)8-6-11(16)14(4,17)15(13,9-10)18-12/h10-11,16-17H,5-9H2,1-4H3/t10-,11+,13-,14-,15-/m1/s1
Standard InCHIKey	QDZQKRSRABUOAX-OBRUSBNWSA-N
External Identifiers	ChEMBL [CHEMBL2287548]; PubChem [11780067];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5709
Formula: C21H20O9

Common Name	Cleomiscosin C
IUPAC Name	(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Canonical SMILES	OC[C@H]1Oc2c(O[C@@H]1c1cc(OC)c(c(c1)OC)O)c(OC)cc1c2oc(=O)cc1
Standard InCHI	InChI=1S/C21H20O9/c1-25-12-7-11(8-13(26-2)17(12)24)18-15(9-22)28-21-19-10(4-5-16(23)29-19)6-14(27-3)20(21)30-18/h4-8,15,18,22,24H,9H2,1-3H3/t15-,18-/m1/s1
Standard InCHIKey	GZXPCBAETDEQAX-CRAIPNDOSA-N
External Identifiers	ChEMBL [CHEMBL465491]; PubChem [11464176];
Reference of Component-Ingredient Pair	11575966

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5597
Formula: C15H24O

Common Name	(X{2212})-1,10-Epoxy-Guaia-11-Ene
IUPAC Name	(1S,3R,6R,8S,9S)-3,9-dimethyl-6-prop-1-en-2-yl-2-oxatricyclo[6.3.0.01,3]undecane
Canonical SMILES	CC(=C)[C@@H]1CC[C@@]2([C@]3([C@@H](C1)[C@@H](C)CC3)O2)C
Standard InCHI	InChI=1S/C15H24O/c1-10(2)12-6-7-14(4)15(16-14)8-5-11(3)13(15)9-12/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15-/m0/s1
Standard InCHIKey	OQZCYVPJJHEMSP-ZQNQSHIBSA-N
External Identifiers	ChEMBL [N/A]; PubChem [11117572];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5586
Formula: C17H14O4

Common Name	6-Hydroxy-2-[2-(4-Hydroxyphenyl) Ethyl]Chromone
IUPAC Name	6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
Canonical SMILES	Oc1ccc(cc1)CCc1cc(=O)c2c(o1)ccc(c2)O
Standard InCHI	InChI=1S/C17H14O4/c18-12-4-1-11(2-5-12)3-7-14-10-16(20)15-9-13(19)6-8-17(15)21-14/h1-2,4-6,8-10,18-19H,3,7H2
Standard InCHIKey	ZEEYITCRNXWBJA-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [11087237];
Reference of Component-Ingredient Pair	11911212

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5579
Formula: C17H14O4

Common Name	6-Hydroxy-2-[2-(2-Hydroxyphenyl) Ethyl]Chromone
IUPAC Name	6-hydroxy-2-[2-(2-hydroxyphenyl)ethyl]chromen-4-one
Canonical SMILES	Oc1ccc2c(c1)c(=O)cc(o2)CCc1ccccc1O
Standard InCHI	InChI=1S/C17H14O4/c18-12-6-8-17-14(9-12)16(20)10-13(21-17)7-5-11-3-1-2-4-15(11)19/h1-4,6,8-10,18-19H,5,7H2
Standard InCHIKey	WSKFJNGZYYOXNY-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [11076893];
Reference of Component-Ingredient Pair	11911212

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5549
Formula: C19H18O5

Common Name	6-Methoxy-2-[2-(3-Methoxy-4-Hydroxyphenyl)Ethyl]Chromone
IUPAC Name	2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-methoxychromen-4-one
Canonical SMILES	COc1ccc2c(c1)c(=O)cc(o2)CCc1ccc(c(c1)OC)O
Standard InCHI	InChI=1S/C19H18O5/c1-22-13-6-8-18-15(10-13)17(21)11-14(24-18)5-3-12-4-7-16(20)19(9-12)23-2/h4,6-11,20H,3,5H2,1-2H3
Standard InCHIKey	RKQVUUSDXYBSJQ-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10969435];
Reference of Component-Ingredient Pair	27230436

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5524
Formula: C17H14O4

Common Name	6,8-Dihydroxy-2-(2-Phenylethyl)Chromone
IUPAC Name	6,8-dihydroxy-2-(2-phenylethyl)chromen-4-one
Canonical SMILES	Oc1cc(O)c2c(c1)c(=O)cc(o2)CCc1ccccc1
Standard InCHI	InChI=1S/C17H14O4/c18-12-8-14-15(19)10-13(21-17(14)16(20)9-12)7-6-11-4-2-1-3-5-11/h1-5,8-10,18,20H,6-7H2
Standard InCHIKey	BHADNQACDVZRFY-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10902066];
Reference of Component-Ingredient Pair	11911212

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5520
Formula: C17H14O3

Common Name	7-Hydroxy-2-(2-Phenylethyl)Chromone
IUPAC Name	7-hydroxy-2-(2-phenylethyl)chromen-4-one
Canonical SMILES	Oc1ccc2c(c1)oc(cc2=O)CCc1ccccc1
Standard InCHI	InChI=1S/C17H14O3/c18-13-7-9-15-16(19)11-14(20-17(15)10-13)8-6-12-4-2-1-3-5-12/h1-5,7,9-11,18H,6,8H2
Standard InCHIKey	QVPPGYBSJQCGTN-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3593953]; PubChem [10890802];
Reference of Component-Ingredient Pair	11911212

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5509
Formula: C18H16O4

Common Name	6-Hydroxy-7-Methoxy-2-(2-Phenylethyl)Chromone
IUPAC Name	6-hydroxy-7-methoxy-2-(2-phenylethyl)chromen-4-one
Canonical SMILES	COc1cc2oc(CCc3ccccc3)cc(=O)c2cc1O
Standard InCHI	InChI=1S/C18H16O4/c1-21-18-11-17-14(10-16(18)20)15(19)9-13(22-17)8-7-12-5-3-2-4-6-12/h2-6,9-11,20H,7-8H2,1H3
Standard InCHIKey	KDCNUGSRRSQXCW-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10870187];
Reference of Component-Ingredient Pair	11911212

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5506
Formula: C15H24O

Common Name	(+)-Selina-3,11-Dien-9-Ol
IUPAC Name	(1S,3S,4aS,8aS)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-ol
Canonical SMILES	CC1=CCC[C@]2([C@H]1C[C@@H](C[C@@H]2O)C(=C)C)C
Standard InCHI	InChI=1S/C15H24O/c1-10(2)12-8-13-11(3)6-5-7-15(13,4)14(16)9-12/h6,12-14,16H,1,5,7-9H2,2-4H3/t12-,13-,14-,15-/m0/s1
Standard InCHIKey	IVRQVIHZMLFDBK-AJNGGQMLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10867821];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5500
Formula: C15H24O

Common Name	Α-Agarofuran
IUPAC Name	(1R,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
Canonical SMILES	CC1=CCC[C@@]2([C@@]31C[C@H](C(O3)(C)C)CC2)C
Standard InCHI	InChI=1S/C15H24O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14+,15+/m1/s1
Standard InCHIKey	ZLQADKTVJQXDIG-SNPRPXQTSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10857022];
Reference of Component-Ingredient Pair	27806651

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5388
Formula: C15H20O

Common Name	(+)-Karanone
IUPAC Name	(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6-dihydro-4H-naphthalen-2-one
Canonical SMILES	CC(=C1C[C@]2(C)[C@@H](C)CC=CC2=CC1=O)C
Standard InCHI	InChI=1S/C15H20O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h5,7-8,11H,6,9H2,1-4H3/t11-,15+/m0/s1
Standard InCHIKey	GJRMMIPVUBOMCF-XHDPSFHLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10398428];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5312
Formula: C15H20O2

Common Name	(X{2212})-Guaia-1(10),11-Dien-15,2-Olide
IUPAC Name	(4R,6S,7S,9R)-6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodec-1(12)-en-2-one
Canonical SMILES	C[C@H]1C[C@@H]2C3=C(C(=O)O2)CC[C@H](C[C@@H]13)C(=C)C
Standard InCHI	InChI=1S/C15H20O2/c1-8(2)10-4-5-11-14-12(7-10)9(3)6-13(14)17-15(11)16/h9-10,12-13H,1,4-7H2,2-3H3/t9-,10+,12-,13+/m0/s1
Standard InCHIKey	BSRYHIYUENCLOJ-JULQROHOSA-N
External Identifiers	ChEMBL [N/A]; PubChem [10082677];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5080
Formula: C15H22O

Common Name	(+)-Selina-4,11-Dien-14-Al
IUPAC Name	(4aR,7R)-4a-methyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde
Canonical SMILES	O=CC1=C2C[C@@H](CC[C@]2(CCC1)C)C(=C)C
Standard InCHI	InChI=1S/C15H22O/c1-11(2)12-6-8-15(3)7-4-5-13(10-16)14(15)9-12/h10,12H,1,4-9H2,2-3H3/t12-,15-/m1/s1
Standard InCHIKey	VNYQZKHAWVXJCR-IUODEOHRSA-N
External Identifiers	ChEMBL [N/A]; PubChem [6431309];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5079
Formula: C14H22O

Common Name	Β-Agarofuran
IUPAC Name	(1S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
Canonical SMILES	CC1(C)O[C@@]23C[C@H]1CCC3(C)CCC=C2
Standard InCHI	InChI=1S/C14H22O/c1-12(2)11-6-9-13(3)7-4-5-8-14(13,10-11)15-12/h5,8,11H,4,6-7,9-10H2,1-3H3/t11-,13?,14-/m1/s1
Standard InCHIKey	IEZDOTGOEOFYHV-AODWJNRKSA-N
External Identifiers	ChEMBL [N/A]; PubChem [6431303];
Reference of Component-Ingredient Pair	17599283

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC5076
Formula: C15H26O

Common Name	(X{2212})-10-Epi-Γ-Eudesmol
IUPAC Name	2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Canonical SMILES	CC1=C2C[C@@H](CC[C@@]2(CCC1)C)C(O)(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/h12,16H,5-10H2,1-4H3/t12-,15+/m1/s1
Standard InCHIKey	WMOPMQRJLLIEJV-DOMZBBRYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [6430754];
Reference of Component-Ingredient Pair	23027699

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC4806
Formula: C15H22O

Common Name	Neopetasone
IUPAC Name	(3R,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Canonical SMILES	CC(=C)[C@H]1C[C@]2(C)[C@@H](C)CCCC2=CC1=O
Standard InCHI	InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11,13H,1,5-7,9H2,2-4H3/t11-,13+,15+/m0/s1
Standard InCHIKey	DIZRSLUNVNGBPA-NJZAAPMLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5320106];
Reference of Component-Ingredient Pair	29385754

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC4736
Formula: C18H16O3

Common Name	6-Methoxy-2-(2-Phenylethyl) Chromone
IUPAC Name	6-methoxy-2-(2-phenylethyl)chromen-4-one
Canonical SMILES	COc1ccc2c(c1)c(=O)cc(o2)CCc1ccccc1
Standard InCHI	InChI=1S/C18H16O3/c1-20-14-9-10-18-16(11-14)17(19)12-15(21-18)8-7-13-5-3-2-4-6-13/h2-6,9-12H,7-8H2,1H3
Standard InCHIKey	JOYYVGVYUHRBAE-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5319482];
Reference of Component-Ingredient Pair	29464509

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC4528
Formula: C34H26O6

Common Name	2,2'-Di-(2-Phenylethyl)-8,6'-Dihydroxy-5,5'-Bichromone (Ah11)
IUPAC Name	8-hydroxy-5-[6-hydroxy-4-oxo-2-(2-phenylethyl)chromen-5-yl]-2-(2-phenylethyl)chromen-4-one
Canonical SMILES	O=c1cc(CCc2ccccc2)oc2c1c(ccc2O)c1c(O)ccc2c1c(=O)cc(o2)CCc1ccccc1
Standard InCHI	InChI=1S/C34H26O6/c35-26-17-18-30-33(29(38)19-23(39-30)13-11-21-7-3-1-4-8-21)31(26)25-15-16-27(36)34-32(25)28(37)20-24(40-34)14-12-22-9-5-2-6-10-22/h1-10,15-20,35-36H,11-14H2
Standard InCHIKey	SMOBXNQIPGOTNB-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [5316930];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC4224
Formula: C15H26O

Common Name	Dihydroagarofuran
IUPAC Name	(2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane
Canonical SMILES	C[C@H]1CCC[C@@]2(C31C[C@H](C(O3)(C)C)CC2)C
Standard InCHI	InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12+,14-,15?/m0/s1
Standard InCHIKey	HVAVUZLEYSAYGE-PEZGSVAQSA-N
External Identifiers	ChEMBL [N/A]; PubChem [3082158];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC4147
Formula: C11H12O2

Common Name	P-Methoxybenzylacetone
IUPAC Name	(E)-4-(4-methoxyphenyl)but-3-en-2-one
Canonical SMILES	COc1ccc(cc1)/C=C/C(=O)C
Standard InCHI	InChI=1S/C11H12O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h3-8H,1-2H3/b4-3+
Standard InCHIKey	WRRZKDVBPZBNJN-ONEGZZNKSA-N
External Identifiers	ChEMBL [CHEMBL72155]; PubChem [736889];
Reference of Component-Ingredient Pair	27443482

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3866
Formula: C17H14O2

Common Name	2-(2-Phenylethyl) Chromone
IUPAC Name	2-(2-phenylethyl)chromen-4-one
Canonical SMILES	O=c1cc(CCc2ccccc2)oc2c1cccc2
Standard InCHI	InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2
Standard InCHIKey	VNZNWFQJBFLELF-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL481060]; PubChem [441964];
Reference of Component-Ingredient Pair	22945027

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3757
Formula: C15H26O

Common Name	Agarospirol,Hinesol
IUPAC Name	2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol
Canonical SMILES	CC1CCC=C(C21CCC(C2)C(O)(C)C)C
Standard InCHI	InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3
Standard InCHIKey	ICWHTQRTTHCUHW-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [289964];
Reference of Component-Ingredient Pair	26495637

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH249	Aquilaria agallocha	Chen Xiang	沉香
TCMH120	Atractylodes macrocephala	Bai Zhu	白术

Ingredient ID: TCMC3688
Formula: C18H16O3

Common Name	2-[2-(4'-Methoxyphenyl) Ethyl] Chromone
IUPAC Name	2-[2-(4-methoxyphenyl)ethyl]chromen-4-one
Canonical SMILES	COc1ccc(cc1)CCc1cc(=O)c2c(o1)cccc2
Standard InCHI	InChI=1S/C18H16O3/c1-20-14-9-6-13(7-10-14)8-11-15-12-17(19)16-4-2-3-5-18(16)21-15/h2-7,9-10,12H,8,11H2,1H3
Standard InCHIKey	ZQBJPQZBIGVILA-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [185208];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3661
Formula: C15H22O

Common Name	Dihydrokaranone
IUPAC Name	(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
Canonical SMILES	CC(=C1C[C@]2(C)[C@@H](C)CCCC2=CC1=O)C
Standard InCHI	InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11H,5-7,9H2,1-4H3/t11-,15+/m0/s1
Standard InCHIKey	DZOKWSREAZGFFC-XHDPSFHLSA-N
External Identifiers	ChEMBL [N/A]; PubChem [177072];
Reference of Component-Ingredient Pair	28733205

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3559
Formula: C15H26O

Common Name	Jinkoheremol
IUPAC Name	2-[(2R,8R,8aS)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Canonical SMILES	C[C@@H]1CCCC2=CC[C@H](C[C@@]12C)C(O)(C)C
Standard InCHI	InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h8,11,13,16H,5-7,9-10H2,1-4H3/t11-,13-,15+/m1/s1
Standard InCHIKey	KEBVXBNFLKYWDP-KYOSRNDESA-N
External Identifiers	ChEMBL [N/A]; PubChem [159005];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3544
Formula: C15H18O3

Common Name	Gmelofuran
IUPAC Name	(7R,8R,10S)-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-diene-5,11-dione
Canonical SMILES	CC([C@H]1CC(=O)c2c3[C@@H]1C[C@H](C)C(=O)c3oc2)C
Standard InCHI	InChI=1S/C15H18O3/c1-7(2)9-5-12(16)11-6-18-15-13(11)10(9)4-8(3)14(15)17/h6-10H,4-5H2,1-3H3/t8-,9+,10+/m0/s1
Standard InCHIKey	ITOFWMRNIIFZKF-IVZWLZJFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [156117];
Reference of Component-Ingredient Pair	24771951

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3511
Formula: C15H26O

Common Name	Jinkoheremol
IUPAC Name	2-(8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl)propan-2-ol
Canonical SMILES	CC1CCC=C2C1(C)CC(CC2)C(O)(C)C
Standard InCHI	InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3
Standard InCHIKey	MQWIFDHBNGIVPO-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [146808];
Reference of Component-Ingredient Pair	23566359

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3502
Formula: C15H24O2

Common Name	Baimuxinal
IUPAC Name	3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carbaldehyde
Canonical SMILES	O=CC1=CCCC(C21CCC(C2)C(O)(C)C)C
Standard InCHI	InChI=1S/C15H24O2/c1-11-5-4-6-13(10-16)15(11)8-7-12(9-15)14(2,3)17/h6,10-12,17H,4-5,7-9H2,1-3H3
Standard InCHIKey	OKBGEROEGQDLFK-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [135215];
Reference of Component-Ingredient Pair	6615594

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3501
Formula: C15H24O3

Common Name	Baimuxinic Acid
IUPAC Name	(3R)-3-(2-hydroxypropan-2-yl)-6-methylspiro[4.5]dec-9-ene-10-carboxylic acid
Canonical SMILES	[O-]C(=O)C1=CCCC(C21CC[C@H](C2)C(O)(C)C)C
Standard InCHI	InChI=1S/C15H24O3/c1-10-5-4-6-12(13(16)17)15(10)8-7-11(9-15)14(2,3)18/h6,10-11,18H,4-5,7-9H2,1-3H3,(H,16,17)/p-1/t10?,11-,15?/m1/s1
Standard InCHIKey	WHUDNFJAKJGKBT-LOIXOFCESA-M
External Identifiers	ChEMBL [N/A]; PubChem [134707];
Reference of Component-Ingredient Pair	6615594

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3478
Formula: C15H24O2

Common Name	Dehydrobaimuxinol
IUPAC Name	[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]methanol
Canonical SMILES	OCC1=CCC[C@@]2([C@@]31C[C@H](C(O3)(C)C)CC2)C
Standard InCHI	InChI=1S/C15H24O2/c1-13(2)11-6-8-14(3)7-4-5-12(10-16)15(14,9-11)17-13/h5,11,16H,4,6-10H2,1-3H3/t11-,14+,15+/m1/s1
Standard InCHIKey	JDBYBUVTDVWOAW-UGFHNGPFSA-N
External Identifiers	ChEMBL [N/A]; PubChem [128736];
Reference of Component-Ingredient Pair	3811941

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3477
Formula: C15H26O2

Common Name	Baimuxinol
IUPAC Name	[(1S,2S,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]methanol
Canonical SMILES	OC[C@@H]1CCC[C@@]2([C@@]31C[C@H](C(O3)(C)C)CC2)C
Standard InCHI	InChI=1S/C15H26O2/c1-13(2)11-6-8-14(3)7-4-5-12(10-16)15(14,9-11)17-13/h11-12,16H,4-10H2,1-3H3/t11-,12+,14+,15+/m1/s1
Standard InCHIKey	YBLZTLDYFAHJHH-DHMWGJHJSA-N
External Identifiers	ChEMBL [N/A]; PubChem [128735];
Reference of Component-Ingredient Pair	1293926

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3398
Formula: C15H24

Common Name	Α-Guaiene
IUPAC Name	1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
Canonical SMILES	CC(=C)C1CCC(C2=C(C1)C(C)CC2)C
Standard InCHI	InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3
Standard InCHIKey	ADIDQIZBYUABQK-UHFFFAOYSA-N
External Identifiers	ChEMBL [N/A]; PubChem [107152];
Reference of Component-Ingredient Pair	11413487

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香
TCMH877	Radix ginseng rubra	Hong Shen	红参

Ingredient ID: TCMC3352
Formula: C10H12O3

Common Name	P-Methoxydihydrocinnamic Acid
IUPAC Name	3-(4-methoxyphenyl)propanoic acid
Canonical SMILES	COc1ccc(cc1)CCC(=O)[O-]
Standard InCHI	InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)/p-1
Standard InCHIKey	FIUFLISGGHNPSM-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL1738950]; PubChem [95750];
Reference of Component-Ingredient Pair	21581055

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3344
Formula: C15H24

Common Name	Δ-Guaiene
IUPAC Name	(3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
Canonical SMILES	CC(=C)[C@@H]1CCC(=C2[C@@H](C1)[C@@H](C)CC2)C
Standard InCHI	InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1
Standard InCHIKey	YHAJBLWYOIUHHM-GUTXKFCHSA-N
External Identifiers	ChEMBL [N/A]; PubChem [94275];
Reference of Component-Ingredient Pair	28701650

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH211	Atractylodes lancea	Cang Zhu	苍术
TCMH426	Codonopsis pilosula	Dang Shen	党参
TCMH249	Aquilaria agallocha	Chen Xiang	沉香
TCMH1768	Panax notoginseng	San Qi	三七
TCMH728	Pogostemon cablin	Guang Huo Xiang	广藿香

Ingredient ID: TCMC3235
Formula: C21H30O2

Common Name	Agarol
IUPAC Name	2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diol
Canonical SMILES	Oc1ccc(c(c1)C[C@]1(C)[C@@H](C)CC[C@]2([C@H]1CCC=C2C)C)O
Standard InCHI	InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1
Standard InCHIKey	JSPUCPNQXKTYRO-LWILDLIXSA-N
External Identifiers	ChEMBL [CHEMBL459814]; PubChem [72185];
Reference of Component-Ingredient Pair	15085406

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC3190
Formula: C11H14O2

Common Name	P-Methoxybenzylacetone
IUPAC Name	4-(4-methoxyphenyl)butan-2-one
Canonical SMILES	COc1ccc(cc1)CCC(=O)C
Standard InCHI	InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
Standard InCHIKey	PCBSXBYCASFXTM-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL3184371]; PubChem [61007];
Reference of Component-Ingredient Pair	22590337

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC2828
Formula: C9H10O2

Common Name	Hydrocinnamic Acid
IUPAC Name	3-phenylpropanoic acid
Canonical SMILES	[O-]C(=O)CCc1ccccc1
Standard InCHI	InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/p-1
Standard InCHIKey	XMIIGOLPHOKFCH-UHFFFAOYSA-M
External Identifiers	ChEMBL [CHEMBL851]; PubChem [107];
Reference of Component-Ingredient Pair	22489542

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH249	Aquilaria agallocha	Chen Xiang	沉香

Ingredient ID: TCMC2642
Formula: C17H9NO3

Common Name	Liriodenine
IUPAC Name	n.a.
Canonical SMILES	O=C1c2ccccc2c2c3c1nccc3cc1c2OCO1
Standard InCHI	InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2
Standard InCHIKey	MUMCCPUVOAUBAN-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL37736]; PubChem [10144];
Reference of Component-Ingredient Pair	21960256

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH600	Euonymus fortunei	Fu Fang Teng	扶芳藤
TCMH334	Allium fistulosum	Cong Bai	葱白
TCMH271	Clerodendrum trichotomum	Chou Wu Tong Ye	臭梧桐叶
TCMH2513	Rhododendron mucronulatum	Ying Shan Hong	映山红
TCMH1460	Zanthoxylum nitidum	Mao Liang Mian Zhen	毛两面针
TCMH213	Boschniakia rossica	Cao Cong Rong	草苁蓉
TCMH1601	Nelumbo nucifera	Ou Pian	藕片
TCMH49	Stemona tuberosa	Bai Bu Liu Jin Gao	百部流浸膏
TCMH249	Aquilaria agallocha	Chen Xiang	沉香
TCMH500	Benincasa hispida	Dong Gua Zi	冬瓜子
TCMH205	Xanthium sibiricum	Cang Er Cao	苍耳草
TCMH498	Benincasa hispida	Dong Gua Pi	冬瓜皮
TCMH204	Xanthium sibiricum	Cang Er	苍耳
TCMH270	Clerodendrum trichotomum	Chou Wu Tong	臭梧桐
TCMH46	Stemona tuberosa	Bai Bu	百部
TCMH47	Stemona tuberosa	Bai Bu Gan Gao	百部干膏
TCMH48	Stemona tuberosa	Bai Bu Jin Gao	百部浸膏
TCMH814	Nelumbo nucifera	He Geng	荷梗
TCMH825	Nelumbo nucifera	He Ye	荷叶
TCMH1275	Nelumbo nucifera	Lian Zi	莲子
TCMH1276	Nelumbo nucifera	Lian Zi Xin	莲子心
TCMH1598	Nelumbo nucifera	Ou	藕
TCMH1599	Nelumbo nucifera	Ou Fen	藕粉

Ingredient ID: TCMC22
Formula: C22H24O7

Common Name	(-)-Yatein
IUPAC Name	(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Canonical SMILES	COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(c1OC)OC
Standard InCHI	InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1
Standard InCHIKey	GMLDZDDTZKXJLU-JKSUJKDBSA-N
External Identifiers	ChEMBL [CHEMBL471067]; PubChem [442835];
Reference of Component-Ingredient Pair	26091020

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1562	Arctium lappa	Niu Bang Zi	牛蒡子
TCMH249	Aquilaria agallocha	Chen Xiang	沉香
TCMH160	Piper cubeba	Bi Cheng Qie	毕澄茄

Ingredient ID: TCMC1294
Formula: C15H18

Common Name	Guaiazulene
IUPAC Name	1,4-dimethyl-7-propan-2-ylazulene
Canonical SMILES	CC(c1ccc(c2c(c1)c(C)cc2)C)C
Standard InCHI	InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3
Standard InCHIKey	FWKQNCXZGNBPFD-UHFFFAOYSA-N
External Identifiers	ChEMBL [CHEMBL1408759]; PubChem [3515];
Reference of Component-Ingredient Pair	N/A

Occurrence of the ingredient across TCM components

Component ID	Latin Name	Pinyin Name	Chinese Name
TCMH1264	Litchi chinensis	Li Zhi He	荔枝核
TCMH316	Ailanthi cortex	Chun Pi	椿皮
TCMH2710	Homo sapiens	Zi He Che	紫河车
TCMH1839	Panax ginseng	Shan Shen	山参
TCMH1486	Ephedra sinica	Mi Ma Huang	蜜麻黄
TCMH249	Aquilaria agallocha	Chen Xiang	沉香
TCMH447	Illicium difengpi	Di Feng Pi	地枫皮
TCMH1734	Homo sapiens	Ren Zhong Bai	人中白
TCMH1398	Ephedra sinica	Ma Huang	麻黄
TCMH1399	Ephedra sinica	Ma Huang Gao	麻黄膏
TCMH1400	Ephedra sinica	Ma Huang Gen	麻黄根
TCMH1401	Ephedra sinica	Ma Huang Jin Gao	麻黄浸膏
TCMH1721	Panax ginseng	Ren Shen	人参
TCMH1728	Panax ginseng	Ren Shen Ye	人参叶

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
TCMC22	C22H24O7	(-)-Yatein	400.15	-0.346	3.11	2.936	2	0	72.45	10	4	29	0
TCMC1294	C15H18	Guaiazulene	198.14	1.8569	3.11	7.984	0	0	0	5	2	15	1
TCMC2642	C17H9NO3	Liriodenine	275.06	-0.5665	2.89	3.275	2	0	48.42	0	5	21	0
TCMC2828	C9H10O2	Hydrocinnamic Acid	149.0602545	-0.8204	2.23	3.168	2	0	40.13	3	1	11	0
TCMC3190	C11H14O2	P-Methoxybenzylacetone	178.0993797	-0.2085	2.45	2.415	1	0	26.3	4	1	13	0
TCMC3235	C21H30O2	Agarol	314.2245802	1.8259	3.55	6.877	0	2	40.46	2	3	23	1
TCMC3344	C15H24	Δ-Guaiene	204.1878008	2.3639	3.11	5.496	0	0	0	1	2	15	1
TCMC3352	C10H12O3	P-Methoxydihydrocinnamic Acid	179.0708192	-0.8722	2.23	1.669	2	0	49.36	4	1	13	0
TCMC3398	C15H24	Α-Guaiene	204.1878008	2.3416	3.11	5.387	0	0	0	1	2	15	1
TCMC3477	C15H26O2	Baimuxinol	238.1932801	-0.2232	2.89	3.039	2	1	29.46	1	3	17	0
TCMC3478	C15H24O2	Dehydrobaimuxinol	236.17763	0.6431	2.89	2.131	2	1	29.46	1	3	17	0
TCMC3501	C15H24O3	Baimuxinic Acid	251.1647196	0.0963	2.78	2.655	3	1	60.36	2	2	18	0
TCMC3502	C15H24O2	Baimuxinal	236.17763	0.8215	2.89	3.217	2	1	37.3	2	2	17	0
TCMC3511	C15H26O	Jinkoheremol	222.1983655	1.6559	3	4.486	1	1	20.23	1	2	16	0
TCMC3544	C15H18O3	Gmelofuran	246.1255944	-0.0572	2.78	2.165	2	0	47.28	1	3	18	0
TCMC3559	C15H26O	Jinkoheremol	222.1983655	0.9191	3	4.486	1	1	20.23	1	2	16	0
TCMC3661	C15H22O	Dihydrokaranone	218.1670653	2.1541	3	3.646	1	0	17.07	0	2	16	0
TCMC3688	C18H16O3	2-[2-(4'-Methoxyphenyl) Ethyl] Chromone	280.1099444	-0.0912	3.11	4.343	1	0	26.3	4	3	21	0
TCMC3757	C15H26O	Agarospirol,Hinesol	222.1983655	1.6559	3	4.591	1	1	20.23	1	2	16	0
TCMC3866	C17H14O2	2-(2-Phenylethyl) Chromone	250.0993797	-0.0394	3.11	5.842	1	0	17.07	3	3	19	1
TCMC4147	C11H12O2	P-Methoxybenzylacetone	176.0837296	0.0554	2.45	2.667	1	0	26.3	3	1	13	0
TCMC4224	C15H26O	Dihydroagarofuran	222.1983655	0.665	3	4.171	1	0	9.23	0	3	16	0
TCMC4528	C34H26O6	2,2'-Di-(2-Phenylethyl)-8,6'-Dihydroxy-5,5'-Bichromone (Ah11)	530.1729386	-0.9994	4.54	8.504	2	2	74.6	7	6	40	1
TCMC4736	C18H16O3	6-Methoxy-2-(2-Phenylethyl) Chromone	280.1099444	-0.0912	3.11	5.187	1	0	26.3	4	3	21	1
TCMC4806	C15H22O	Neopetasone	218.1670653	1.6677	3	3.653	1	0	17.07	1	2	16	0
TCMC5076	C15H26O	(X{2212})-10-Epi-Γ-Eudesmol	222.1983655	1.2945	3	4.04	1	1	20.23	1	2	16	0
TCMC5079	C14H22O	Β-Agarofuran	206.1670653	1.2874	2.89	3.317	1	0	9.23	0	3	15	0
TCMC5080	C15H22O	(+)-Selina-4,11-Dien-14-Al	218.1670653	1.4802	3	4.026	1	0	17.07	2	2	16	0
TCMC5312	C15H20O2	(X{2212})-Guaia-1(10),11-Dien-15,2-Olide	232.1463299	1.518	2.89	3.253	2	0	26.3	1	3	17	0
TCMC5388	C15H20O	(+)-Karanone	216.1514153	2.6543	3	3.532	1	0	17.07	0	2	16	0
TCMC5500	C15H24O	Α-Agarofuran	220.1827154	1.7338	3	3.168	1	0	9.23	0	3	16	0
TCMC5506	C15H24O	(+)-Selina-3,11-Dien-9-Ol	220.1827154	2.0286	3	3.638	1	1	20.23	1	2	16	0
TCMC5509	C18H16O4	6-Hydroxy-7-Methoxy-2-(2-Phenylethyl)Chromone	296.104859	-0.5515	3	4.224	1	1	46.53	4	3	22	0
TCMC5520	C17H14O3	7-Hydroxy-2-(2-Phenylethyl)Chromone	266.0942943	-0.4997	3	4.668	1	1	37.3	3	3	20	0
TCMC5524	C17H14O4	6,8-Dihydroxy-2-(2-Phenylethyl)Chromone	282.0892089	-0.9138	2.89	3.729	4	2	57.53	3	3	21	0
TCMC5549	C19H18O5	6-Methoxy-2-[2-(3-Methoxy-4-Hydroxyphenyl)Ethyl]Chromone	326.1154237	-0.5571	3	2.205	3	1	55.76	5	3	24	0
TCMC5579	C17H14O4	6-Hydroxy-2-[2-(2-Hydroxyphenyl) Ethyl]Chromone	282.0892089	-0.96	2.89	2.65	1	2	57.53	3	3	21	0
TCMC5586	C17H14O4	6-Hydroxy-2-[2-(4-Hydroxyphenyl) Ethyl]Chromone	282.0892089	-0.96	2.89	2.65	1	2	57.53	3	3	21	0
TCMC5597	C15H24O	(X{2212})-1,10-Epoxy-Guaia-11-Ene	220.1827154	1.4755	3	4.101	1	0	12.53	1	3	16	0
TCMC5709	C21H20O9	Cleomiscosin C	416.1107322	-1.1356	2.78	1.266	2	2	103.68	5	4	30	0
TCMC5793	C15H26O3	3,4-Dihydroxydihydroagarofuran	254.1881947	-0.5404	2.78	2.449	3	2	49.69	0	3	18	0
TCMC5957	C14H22O2	Norketoagarofuran	222.1619799	0.047	2.78	2.183	2	0	26.3	0	3	16	0
TCMC5999	C17H18O6	Agarotetrol	318.1103383	-2.1427	2.67	2.517	6	4	97.99	3	3	23	0
TCMC6072	C15H22O	(X{2212})-Selina-3,11-Dien-9-One	218.1670653	2.0547	3	3.031	1	0	17.07	1	2	16	0
TCMC6129	C35H32O9	(5S,6S,7R,8S)-2-(2-Phenylethyl)-5,6,7-Trihydroxy-5,6,7,8-Tetrahydro-8-[2-(2-Phenylethyl)-7-Methoxychromonyl-6-Oxy]Chromone (Ah12)	596.2046326	-1.9277	4.32	7.33	6	3	113.29	9	6	44	1
TCMC6130	C34H30O8	(5S,6R,7R,8S)-2-(2-Phenylethyl)-5,6,7-Tri-Hydroxy-5,6,7,8-Tetrahydro-8-[2-(2-Phenylethyl)Chromonyl-6-Oxy]Chromone (Ah13)	566.1940679	-1.8297	4.32	7.465	8	3	104.06	8	6	42	1
TCMC6206	C15H22O	(X{2212})-Guaia-1(10),11-Dien-15-Al	218.1670653	1.5295	3	4.122	1	0	17.07	2	2	16	0
TCMC6215	C18H20O6	5Α,6Β,7Β-Trihydroxy-8Α-Methoxy-2-(2-Phenylethyl)-5,6,7,8-Tetrahydro Chromone	332.1259884	-1.7342	2.78	2.607	6	3	86.99	4	3	24	0
TCMC6255	C15H24O	Β-Agarofuran	220.1827154	0.8503	3	3.213	1	0	9.23	0	3	16	0
TCMC6377	C16H24O2	(X{2212})-Methyl Selina-3,11-Dien-14-Oate	248.17763	1.9709	3	5.011	2	0	26.3	3	2	18	1
TCMC6378	C16H24O2	(+)-Methyl Selina-4,11-Dien-14-Oate	248.17763	1.6838	3	4.266	2	0	26.3	3	2	18	0
TCMC6423	C15H26O	Dihydroagarofuran	222.1983655	0.665	3	4.171	1	0	9.23	0	3	16	0
TCMC6480	C15H26O2	4-Hydroxydihydroagarofuran	238.1932801	0.2259	2.89	3.05	2	1	29.46	0	3	17	0
TCMC6497	C17H18O6	Isoagarotetrol	318.1103383	-2.1427	2.67	2.517	6	4	97.99	3	3	23	0
TCMC6498	C26H28O11	5Α,6Β,7Β,8Α-Tetraacetoxy-2-[2-(4'-Methoxyphenyl)Ethyl]-5,6,7,8-Tetrahydro-Chromone	516.1631617	-0.7922	3.11	2.691	10	0	131.5	12	3	37	1
TCMC6499	C18H20O7	5Α,6Β,7Β,8Α-Tetrahydroxy-2-[2-(4'-Methoxyphenyl)Ethyl]-5,6,7,8-Tetrahydrochromone	348.120903	-2.3086	2.67	1.018	6	4	107.22	4	3	25	0
TCMC6500	C17H18O7	5Α,6Β,7Α,8Β-Tetrahydroxy-2-[2-(2'-Hydroxyphenyl)Ethyl]-5,6,7,8-Tetrahydrochromone	334.1052529	-2.603	2.56	0.499	6	5	118.22	3	3	24	0
TCMC6554	C17H18O7	5Α,6Β,7Β,8Α-Tetrahydroxy-2-[2-(2'-Hydroxy Phenyl)Ethyl]-5,6,7,8-Tetrahydrochromone	334.1052529	-2.603	2.56	0.499	6	5	118.22	3	3	24	0
TCMC6555	C51H46O14	Ah20	882.2887562	-3.6662	5.53	9.845	14	6	191.05	13	9	65	4
TCMC6562	C15H22O	(+)-Guaia-1(10),11-Dien-9-One	218.1670653	1.8169	3	3.523	1	0	17.07	1	2	16	0
TCMC6563	C15H22O	(X{2212})-Selina-3,11-Dien-14-Al	218.1670653	1.7673	3	4.771	1	0	17.07	2	2	16	0
TCMC6579	C17H18O6	(5R,6R,7S,8R)-2-(2-Phenylethyl)-5E',6A,7E,8E'-Tetrahydroxy-5,6,7,8-Tetrahydrochromone	318.1103383	-2.1427	2.67	2.517	6	4	97.99	3	3	23	0
TCMC6994	C15H26O	Agarospirol	222.1983655	1.6559	3	4.591	1	1	20.23	1	2	16	0
TCMC7047	C15H24O	Dehydrojinkoheremol	220.1827154	1.4193	3	4.372	1	1	20.23	1	2	16	0
TCMC7104	C15H20O3	Agarol	248.1412445	-0.4655	2.78	2.209	2	1	50.44	1	3	18	0
TCMC7161	C15H24O	(X{2212})-Guaia-1(10),11-Dien-15-Ol	220.1827154	1.2732	3	3.615	1	1	20.23	2	2	16	0
TCMC7162	C15H22O2	(X{2212})-Guaia-1(10),11-Dien-15-Carboxylic Acid	233.1541549	0.8043	2.89	3.56	2	0	40.13	2	2	17	0
TCMC7163	C16H24O2	Methyl Guaia-1(10),11-Dien-15-Carboxylate	248.17763	1.7331	3	4.362	2	0	26.3	3	2	18	0

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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: Aquilaria agallocha 沉香

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: TCMC7163

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7162

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7161

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7104

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC7047

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6994

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6579

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6563

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6562

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6555

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6554

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6500

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6499

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6498

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6497

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6480

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6423

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6378

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6377

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6255

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6215

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6206

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6130

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6129

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC6072

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5999

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5957

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5793

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5709

Occurrence of the ingredient across TCM components

Ingredient ID: TCMC5597