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Plant Summary

Plant Information

TCMBank_ID:	TCMBANKHE008361
ID:	TCMBANKHE008361
功能与主治:	Cold pain in stomach duct and abdomen, vomiting, diarrhea, headache, toothache, deep-source nasal congestion, coronary heart disease, angina pectoris.
药用植物名:	荜茇
临床特征:	Its oily extract inhibits the growth of Staphylococcus aureus and Bacillus dysenteriae.
治疗类型:	温里药
TCM_ID_id:	3043
SymMap_id:	42
TCMSP_id:	53

植物对应的化合物

化合物ID	化合物名	别名	分子式	分子质量	Smiles

TCMBANKIN000056	sesamol	LUSZGTFNYDARNI-UHFFFAOYSA-N; Sesamol, purum, >=98.0% (GC); NCGC00258763-01; SR-01000944738-1; Z1262246129; W-105747; NSC 59256; MCULE-8945575085; benzo[d][1,3]dioxol-5-ol; CHEMBL1517998; 533S313; S3003_ALDRICH; K-9668; DTXSID9021267; Tox21_201211; CTK3J6230; Sesamol, Vetec(TM) reagent grade, 98%; sesamol, ion (1+); BG00600287; ZB008171; Sesamol; AC-11668; AI3-17298; 3,4-(Methylenedioxy)-Phenol; DSSTox_GSID_21267; EBD8850; MFCD00005827; 3,4 Methylenedioxy Phenol; 3,4-methylenedioxy phenol; RTR-018861; 3,4-methylendioxy-phenol; 2H-benzo[d]1,3-dioxolen-5-ol; FT-0614403; 5-hydroxy-1,3-benzodioxolane; AC1Q6ZYU; 533-31-3; Phenol,4-(methylenedioxy)-; STOCK1N-66692; 4,5-methylenedioxyphenol; EINECS 208-561-5; NSC59256; AB1001909; MolPort-000-145-941; STK568334; Y0189; 2H-1,3-Benzodioxol-5-Ol; SY015819; 5-Hydroxy-1,3-benzodioxole; TR-018861; BG01497769; KB-64442; A25062; AKOS005493905; 3,4-(Methylenedioxy)phenol; 5-Benzodioxolol; NCGC00091628-02; InChI=1/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H; CAS-533-31-3; (3,4-methylenedioxy)phenol; Sesamol 10g; CS-0016841; Methylene ether of oxyhydroquinone; Sesamol, 98%; WLN: T56 BO DO CHJ GQ; BRN 0127405; SDCCGMLS-0066221.P001; BBL027539; Phenol, 3,4-(methylenedioxy)-; 85070_FLUKA; BDBM36291; NCGC00091628-01; 3,4-(Methylenedioxy)phenol; 5-hydroxylbenzo[1,3]dioxolane; ZINC00164504; sesamol sodium; Sesamol, analytical standard; DSSTox_RID_76047; BZX; ST5330663; 5-Benzodioxolol; I01-0893; SC-17690; 5-19-02-00532 (Beilstein Handbook Reference); benzo[1,3]dioxol-5-ol; 3,4-(Methylenedioxy)phenol; 1,3-Benzodioxol-5-ol; 5-Benzodioxolol; 3,4-Methylenedioxyphenol; ZINC164504; CHEBI:9126; sesamol lithium; 1,3-Benzodioxol-5-ol, 9CI; RP17328; KSC496E3B; S8518_SIGMA; 3,4-methylenedioxy-phenol; CCRIS 1386; DSSTox_CID_1267; 3,4-Methylendioxyphenol; AN-45647; AC1L29FS; sesamol titanium (+4); NSC-59256; F0001-1376; 5-Hydroxy-1, 3-benzodioxole; SCHEMBL20959; SR-01000944738; 5-Hydroxybenzo[1,3]dioxole; 1,3-Benzodioxol-5-ol (Sesamol); 1,3-Benzodioxol-5-ol; 5-Hydroxy-1,3-benzodioxole;5-Benzodioxolol;3,4-Methylendioxyphenol;3,4-methylenedioxyphenoL;3,4-(Methylenedioxy)phenol, sesamoL;1,3-Benzodioxol-5-ol; 1,2,4-Benzenetriol methylene ether; UNII-94IEA0NV89; 94IEA0NV89; C10832; AC1Q798T; 3ao1; ANW-43857; DB-021955; S0418; TL8003505; 5-hydroxy-benzo[1.3]dioxole; SBB085996; LS-2149; 1, 3-Benzodioxol-5-ol; ST50330663; GF-0128	C7H6O3	138.12	C1OC2=C(O1)C=C(C=C2)O
TCMBANKIN000249	Lawsone	2-Oxylato-1,4-naphthoquinone; A840637; lawsone; 3,4-bis(oxidanylidene)naphthalen-1-olate; 2-hydroxy-1,4-naphtoquinone; 3,4-dioxo-1-naphthalenolate	C10H6O3	174.15	C1=CC=C2C(=C1)C(=CC(=O)C2=O)[O-]
TCMBANKIN004107	N-isobutyleicosa-2(E),4(E),8(Z)-trienamide			361.68
TCMBANKIN004245	15-alpha-hydroxyneoline	15-α-hydroxyneoline
TCMBANKIN004992	p-Amino-o-cresol	4-amino-2-methyl-phenol; ZINC01669677; 4-amino-2-methylphenol; 2835-96-3; 4-Amino-o-cresol; EINECS 220-619-1; 225053_ALDRICH; Phenol, 4-amino-2-methyl-; o-Cresol, 4-amino-; InChI=1/C7H9NO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,8H2,1H	C7H9NO	123.15	CC1=C(C=CC(=C1)N)O
TCMBANKIN005691	anhweiaconitine a. b
TCMBANKIN007637	(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane	(1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane	C10H16	136.23 g/mol	CC(C)C12CCC(=C)C1C2
TCMBANKIN007850	N-(2,5-dimethoxyphenyl)-4-methoxybenzamide	SMR000008675; BAS 00342395; Benzamide, N-(2,5-dimethoxyphenyl)-4-methoxy-; N-(2,5-dimethoxyphenyl)-4-methoxy-benzamide; N-(2,5-Dimethoxy-phenyl)-4-methoxy-benzamide; Oprea1_081808; ZINC00335062; STK018033; Oprea1_488227; MLS000026764	C16H17NO4	287.31 g/mol	COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC)OC
TCMBANKIN008950	1-undecylenyl-3,4-methylenedioxybenzene		C18H28O2		CCCCCCCCCCCC1=CC2=C(C=C1)OCO2
TCMBANKIN011196	cis-2-Decalone	cis-.beta.-Decalone; (4aS,8aR)-decalin-2-one; 1579-21-1; (4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one; (4aS,8aR)-2-decalinone; (-)-cis-2-Decalone; ZINC01565312; NSC59022; Octahydro-2(1H)-naphthalenone	C10H16O	152.23	C1CCC2CC(=O)CCC2C1
TCMBANKIN011319	germacrene	germacrene d; Germacrene-D	C15H24	204.35	CC1=CCCC(=CCC(CC1)C(=C)C)C
TCMBANKIN011605	N-Isobutyl-2,4-icosadienamide	N-Isobutyl-2,4-eicosadienamide; (2E,4E)-N-(2-methylpropyl)icosa-2,4-dienamide; (2E,4E)-N-isobutylicosa-2,4-dienamide; 2,4-Eicosadienamide, N-(2-methylpropyl)-, (E,E)-; 54794-71-7	C24H45NO	363.62	CCCCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C
TCMBANKIN014175	Piperitenone	NCI60_023460; 3-methyl-6-propan-2-ylidene-cyclohex-2-en-1-one; LMPR0102090056; p-Menth-1,4(8)-dien-3-one; CHEMBL54161; UNII-IKR841W74D; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one #; NSC-667470; CHEBI:17304; ZINC18157343; IKR841W74D; AIDS-161030; Pulespenone; FEMA No. 3560; 6-isopropylidene-3-methyl-cyclohex-2-en-1-one; p-Mentha-1,4(8)-dien-3-one; 2-Cyclohexen-1-one,3-methyl-6-(1-methylethylidene)-; SCHEMBL220677; 1-Methyl-4-isopropylidene-1-cyclohexen-3-one; NSC667470; AC1Q6A92; FEMA 3560; AK546262; 3-Methyl-6-(propan-2-ylidene)cyclohex-2-enone; 3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one; AIDS161030; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one; 2-CYCLOHEXEN-1-ONE, 3-METHYL-6-(1-METHYLETHYLIDENE)-; 3-Methyl-6-(1-methylethylidene)-2-cyclohexen-1-one, 9CI; HKZQJZIFODOLFR-UHFFFAOYSA-N; AKOS022504705; 3-methyl-6-(propan-2-ylidene)cyclohex-2-en-1-one; HKZQJZIFODOLFR-UHFFFAOYSA-; 6-isopropylidene-3-methyl-1-cyclohex-2-enone; MolPort-001-787-631; Z2492396266; piperitenone; EINECS 207-729-5; InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3; C01951; AC1L8GSJ; 6-Isopropylidene-3-methyl-2-cyclohexenone; 3-Methyl-6-(1-methylethylidene)cyclohex-2-en-1-one; 3-Terpinolenone; 491-09-8	C10H14O	150.22	CC1=CC(=O)C(=C(C)C)CC1
TCMBANKIN014193	[(3S)-3,7-dimethylocta-1,6-dien-3-yl] propanoate	ZINC01850986; propionic acid [(1S)-1,5-dimethyl-1-vinyl-hex-4-enyl] ester; [(1S)-1,5-dimethyl-1-vinyl-hex-4-enyl] propanoate; propanoic acid [(1S)-1,5-dimethyl-1-vinylhex-4-enyl] ester	C13H22O2	210.31
TCMBANKIN014658	delavaconitine	Delavaconitine	C29H39NO6	497.62	CCN1CC2CCC(C34C2CC(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)O)OC)O)OC
TCMBANKIN014897	ZINC03982454	(3R,8S,9S,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3R,8S,9S,10R,13R,14R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3R,8S,9S,10R,13R,14R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3R,8S,9S,10R,13R,14R,17R)-17-[(2R,5S)-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	C29H50O	414.71
TCMBANKIN017120	(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-piperidino-pent-2-en-1-one	(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-piperidin-1-yl-pent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxy-phenyl)-1-(1-piperidyl)pent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylpent-2-en-1-one; (E)-5-(4-hydroxy-3-methoxyphenyl)-1-(1-piperidyl)pent-2-en-1-one	C17H23NO3	289.4 g/mol	COC1=C(C=CC(=C1)CCC=CC(=O)N2CCCCC2)O
TCMBANKIN017199	(5S)-5-(4-hydroxybenzyl)hydantoin	40856-79-9; NSC31204; (5S)-5-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione	C10H10N2O3	206.2	C1=CC(=CC=C1CC2C(=O)NC(=O)N2)O
TCMBANKIN017241	chitin	N-[(2R,4S,5S)-5-({[(2R,4S,5S)-3-acetamido-5-({[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}methyl)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]methoxy}methyl)-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; [1,4-(N-Acetyl-beta-delta-glucosaminyl)]n+1; [1,4-(N-Acetyl-beta-D-glucosaminyl)]n+1; Poly 2-Acetamido-2-deoxy-delta-glucose; Poly 2-Acetamido-2-deoxy-D-glucose; beta-1,4-Poly-N-acetyl-delta-glucosamine; [1,4-(N-Acetyl-beta-delta-glucosaminyl)]n	C24H41N3O16	627.6 g/mol	CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O)NC(=O)C)O
TCMBANKIN019177	1,4,7,-Cycloundecatriene, 1,5,9,9-tetramethyl-, Z,Z,Z-	(1Z,4Z,7Z)-1,5,9,9-tetramethylcycloundeca-1,4,7-triene; 1,4,7,-Cycloundecatriene, 1 , 5 , 9 , 9-tetramethyl-,z,z,z-; 1,5,9,9-Tetramethyl-1,4,7-cycloundecatriene	C15H24	204.35 g/mol	CC1=CCC=C(CC=CC(CC1)(C)C)C
TCMBANKIN019808	Isobutylisovalerate	Isobutyl isopentanoate; 59870_FLUKA; 3-methylbutanoic acid isobutyl ester; 2-Methylpropyl isovalerate; 589-59-3; Isobutyl isovalerate (natural); isobutyl 3-methylbutanoate; NSC6993; FEMA No. 3369; BRN 1702649; isobutylisovalerate; WLN: 1Y1&1VO1Y1&1; 3-methylbutyric acid isobutyl ester; 2-Methylpropyl 3-methylbutanoate; AI3-33586; 2-Methylpropyl 3-methylbutyrate; Isobutyl isovalerate; Isobutyl 3-methylpropanoate; Isovaleric acid, isobutyl ester; Butanoic acid, 3-methyl-, 2-methylpropyl ester; EINECS 209-653-8; NSC 6993	C9H18O2	158.24	CC(C)CC(=O)OCC(C)C
TCMBANKIN021749	Bicyclo[3. 2. 2]non-6-en-3-one		C10H14O	150.22	C1CC2CC(=O)CC1C=C2
TCMBANKIN021960	Pisatin	C10516; MEGxp0_001256; 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-6a(12aH)-ol, 3-methoxy-, (6aR-cis)-; 469-01-2; pisatin	C17H14O6	314.29	COC1=CC2=C(C=C1)C3C(CO2)(C4=CC5=C(C=C4O3)OCO5)O
TCMBANKIN022321	(1R,5R,7S)-4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene		C10H16	136.23
TCMBANKIN022856	Cyclopentadecane	ST5407068; Decylcyclopentane; 295-48-7; InChI=1/C15H30/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-15H; EINECS 206-040-7	C15H30	210.4	C1CCCCCCCCCCCCCC1
TCMBANKIN024010	cedryl acetate	8-β-H-Cedran-8-ol acetate	C17H28O2	264.4	CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC(=O)C
TCMBANKIN024336	beiwutine	AC1Q44JB	C33H45NO12	647.71	CC(=O)OC12C3C(C4C5(CN(C3C4(C(CC5O)OC)C6(C1C(C(C6)(C(C2O)OC)O)OC(=O)C7=CC=CC=C7)O)C)COC)OC
TCMBANKIN024441	2,4-dimethye-Hexane
TCMBANKIN024618	8-Heptadecene	(8E)-8-Heptadecene; 51667_FLUKA; heptadec-8-ene; (E)-heptadec-8-ene; 8-heptadecene; 8- heptadecene	C17H34	238.45	CCCCCCCCC=CCCCCCCC
TCMBANKIN024621	laurotetanine	NSC106610; 6aalpha 1,2,10-Trimethoxy--Noraporphin-9-ol; Laurotetanin; Laurotetanine; NCGC00385613-01!1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-9-ol; MCULE-5875710476; 6a.alpha.-Noraporphin-9-ol,2,10-trimethoxy-; 9-Hydroxy-1,2,10-trimethoxynoraporphine; 128-76-7; 4,15,16-trimethoxy-10-azatetracyclo[7.7.1.0;{2,7}.0;{13,17}]heptadeca-1(17),2(7),3,5,13,15-hexaen-5-ol; (+)-Laurotetanine; NSC-106610; AC1L6I3A; 4H-Dibenzo[de,g]quinolin-9-ol,5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (6aS)-; 4,15,16-TRIMETHOXY-10-AZATETRACYCLO[7.7.1.0(2),?.0(1)(3),(1)?]HEPTADECA-1(16),2,4,6,13(17),14-HEXAEN-5-OL; CTK4B6053; SCHEMBL905125; Litsoene; 4H-Dibenzo[de, 5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (S)-; 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-9-ol; Litsoeine; MolPort-021-804-776; AC1Q56MH	C19H21NO4	327.4 g/mol	COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC
TCMBANKIN025180	(2R,4aR,8aR)-2-methyldecalin	(2R,4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene	C11H20	152.28
TCMBANKIN025530	Tetradecahydro-1-methylphenanthrene		C15H26	206.37 g/mol	CC1CCCC2C1CCC3C2CCCC3
TCMBANKIN025590	deoxyaconitine	Deoxyaconitine; CHEMBL400316	C34H47NO10	629.74	CCN1CC2(CCC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)COC
TCMBANKIN026020	bnzoyimesaconitine
TCMBANKIN026797	-cis-.beta.-Elemene diastereomer	(1S,2R,4R)-2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane; (1S,2R,4R)-2,4-diisopropenyl-1-methyl-1-vinylcyclohexane; (1S,2R,4R)-1-ethenyl-1-methyl-2,4-di(prop-1-en-2-yl)cyclohexane	C15H24	204.35
TCMBANKIN026943	Dodecahydropyrido [1,2-b]isoquinolin -6-one		C13H21NO	207.31 g/mol	C1CCC2C(C1)CC3CCCCN3C2=O
TCMBANKIN028071	ZINC03996196	(1R,3aS,4S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan	C22H26O6	386.44
TCMBANKIN028726	1-[1-oxo-9(3, 4-methylenedioxyphenyl)-2E,8E-nonadienyl] pyrrolidine			327.46
TCMBANKIN029006	piperonal	1,3-benzodioxole-5-carbaldehyde; FR-0263; 3,4-Dihydroxybenzaldehyde methylene ketal; Heliotropine; CCRIS 5928; 3,4-(Methylenedioxy)benzaldehyde; NCGC00091137-01; CHEBI:8240; Geliotropin; 120-57-0; W291102_ALDRICH; 3,4-Methylene-dihydroxybenzaldehyde; C10812; 3,4-Methylenedioxybenzaldehyde; WLN: T56 BO DO CHJ GVH; Heliotropin (natural); NSC 26826; SBB007752; Piperonylaldehyde; 5-Formyl-1,3-benzodioxole; Dioxymethylene protocatechuic aldehyde; Piperonyl aldehyde; Benzaldehyde, 3,4-(methylenedioxy)-; InChI=1/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H; Piperonaldehyde; Protocatechuic aldehyde methylene ether; EINECS 204-409-7; ZINC00001953; NSC26826; FEMA No. 2911; 3,4-Dimethylenedioxybenzaldehyde; 1,3-Benzodioxole-5-carboxaldehyde; 80820_FLUKA; P49104_ALDRICH; 3,4-METHYLEN-DIOXY-BENZALDEHYDE; 3,4-Bis(methylenedioxy)benzaldehyde; AI3-01198; Dioxymethylene-protocatechuic aldehyde; 30024-74-9; HSDB 581; Piperonal; LS-631; Heliotropin	C8H6O3	150.13 g/mol	C1OC2=C(O1)C=C(C=C2)C=O
TCMBANKIN032207	(E,E,E)-11-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)-2,4,10-undecatrienenamide	2,4,10-Undecatrienenamide, 11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (E,E,E)-; (2E,4E,6E,10E)-11-(1,3-benzodioxol-5-yl)-N-isobutylundeca-2,4,6,10-tetraenamide; 54794-74-0; (2E,4E,6E,10E)-11-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)undeca-2,4,6,10-tetraenamide; (2E,4E,6E,10E)-11-(1,3-benzodioxol-5-yl)-N-isobutyl-undeca-2,4,6,10-tetraenamide	C22H29NO3	355.47	CC(C)CNC(=O)C=CC=CC=CCCC=CC1=CC2=C(C=C1)OCO2
TCMBANKIN032936	l-undecylenyl-3,4-methylenedioxybenzene			274.44
TCMBANKIN033667	ajaconitine
TCMBANKIN033968	atisine		C22H33NO2	343.5 g/mol	CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C6N(C2)CCO6
TCMBANKIN034461	Cyclodecene, 1-methyl-	cis-Cyclodecene, 1-methyl-; (1Z)-1-methylcyclodecene; 1-Methyl-1-cyclodecene	C11H20	152.28 g/mol	CC1=CCCCCCCCC1
TCMBANKIN035787	4-[(1-Carboxy-2-methylbutyl)amino]-2(1H)-pyrimidinone		C10H15N3O3	225.24 g/mol	CCC(C)C(C(=O)O)NC1=CC=NC(=O)N1
TCMBANKIN036842	piperine	KBio2_003371; AIDS024972; SPBio_002547; ZINC01529772; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine; DivK1c_000954; NSC242267; CCRIS 5572; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-; P49007_ALDRICH; BSPBio_000608; 7780-20-3; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; 1-[5-(3,4-pentadienyl]piperidine; Piperin; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-; Piperine (aliphatic); piperine ; SCHEMBL14171509; Spectrum2_000049; KBioSS_000803; 1-PIPEROYL-(E,E)-PIPERIDINE; ZINC5945454; IDI1_000954; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-; NCGC00094872-03; Prestwick1_000474; 1-Piperoyl-piperidine; InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3; NCGC00094872-01; Piperidine, 1-piperoyl-, (E,E)-; Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; SR-01000638580-1; Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; UNII-Z3C7H03C5M; KBio1_000954; BPBio1_000670; N-[(E,E)-piperoyl]-piperidine; 1-Piperoylpiperidine; Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NCGC00094872-02; Z3C7H03C5M; (2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE; piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; NSC21727; 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine; Spectrum_000323; (2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine; (E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI); Spectrum4_000708; 1-Piperoylpiperidine, (E,E)-; KBio3_002015; Prestwick3_000474; AIDS-024972; Spectrum3_000868; KBio2_005939; Prestwick_398; Prestwick0_000474; Prestwick2_000474; Piperidine, 1-((2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (E,E)-1-piperoylpiperidine; FEMA No. 2909; SPBio_000177; C03882; 147030-08-8; N-[(E,E)-Piperoyl]piperidine; 80810_FLUKA; Piperoylpiperidine; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Spectrum5_001507; 94-62-2; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; W290904_ALDRICH; NINDS_000954; BSPBio_002515; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine; Piperine; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; KBioGR_001235; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NSC 242267; AC1LU7IP; SDCCGMLS-0066693.P001; AI3-01439; NSC 21727; Isopiperine; KBio2_000803; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; CHEBI:28821; ST5307921; 30511-76-3; NSC-242267; SPECTRUM1500873; EINECS 202-348-0	C17H19NO3	285.338	c12c(OC([H])([H])O1)c([H])c([H])c(\C([H])=C([H])\C([H])=C([H])\C(=O)N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c2[H]
TCMBANKIN037120	piperanine	trans-5-(3,4-methylenedioxyphenyl)-2-pentenoic acid piperidide; (E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)pent-2-en-1-one; SCHEMBL15159492; ZINC1714287; 23512-46-1; Da,b-Dihydropiperine; NSC125180; NSC-125180; 2-Penten-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E)-; SMR001397304; Piperanin; AC1NSZOK; (2E)-5-(2H-1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one; b-Hydropiperylpiperidine; MLS002473216; 1-[5-(1,3-Benzodioxol-5-yl)-1-oxo-2-pentenyl]piperidine; AC1Q5K4G; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)pent-2-en-1-one; (E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-pent-2-en-1-one; ACon1_000146; QHWOFMXDKFORMO-XVNBXDOJSA-N; 4,5-Dihydroxypiperine; BDBM50415870; NP-000505; NCGC00180838-01; (E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-pent-2-en-1-one; 1-[5-(3,4-Methylenedioxyphenyl)-2-pentenoyl]piperidine; (E)-5-(benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl]-, (E)-; 65937-41-9; Delata-Alpha,Beta-Dihydropiperine; BRD-K72444591-001-01-1; (E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one; piperanine; AKOS030555239; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-pent-2-en-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl)-, (E)-; 5-(1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one; CHEMBL256218; Piperanine, >=95% (LC/MS-ELSD); MolPort-001-740-383; MEGxp0_000204; Dalpha,Beta-Dihydropiperine; Piperidine, 1-[5-[3,4-(methylenedioxy)phenyl]-2-pentenoyl]-, (E)-; MCULE-5426651801; AK585636; NCGC00180838-02!(E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one; 5-(Benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)pent-2-en-1-one; Piperidine, 1-[(2E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2-pentenyl]-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-pent-2-en-1-one; 5-(3,4-Methylenedioxyphenyl)-2-pentenoic acid piperidide; HMS2270O08	C17H21NO3	287.354	C1([H])([H])Oc(c([H])c([H])c(C([H])([H])C([H])([H])\C([H])=C([H])\C(=O)N2C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c3[H])c3O1
TCMBANKIN037504	β-Bisabolene	(1S)-bisabola-4,7(11),10(15)-triene; (-)-beta-bisabolene; beta-Bisabolene; Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)-; (S)-(-)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; LMPR0103060013; beta-bisabolene ; β-Bisabolene; UNII-S19BRC22QA; (1S)-bisabola-4,7(11),10(15)-triene (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-1-cyclohexene-, (4S)-; (4R)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene; S19BRC22QA; XZRVRYFILCSYSP-OAHLLOKOSA-N; InChI=1/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H; CHEBI:49263; C19751; 1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; (4R)-1-methyl-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexene; cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-; FT-0622892; (-)-.beta.-bisabolene; .beta.-Bisabolene; 495-61-4; β- bisabolene; (+,-)-.beta.-Bisabolene; (-)-b-bisabolene,b-bisabolene,6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-1,5-heptadiene; (4R)-1-methyl-4-(5-methyl-1-methylenehex-4-enyl)cyclohexene; l-beta-Bisabolene; l-.beta.-Bisabolene; (S)-1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)cyclohexene; beta-bisabolene; (S)-beta-bisabolene; (4S)-1-methyl-4-(5-methyl-1-methylenehex-4-en-1-yl)cyclohexene; CHEMBL1077088; C16775; ZINC1846611; 1-Methyl-4-(5-methyl-1-methylene-4-hexenyl)-(S)-cyclohexene; (s)-1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-cyclohexene; 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-)-		204.35 g/mol
TCMBANKIN037541	alpha-Cubebene	α-cubebene; α- cubebene; 17699-14-8; alpha-cubebene; C09647	C15H24	204.351	C([H])([H])([H])[C@@]1([H])[C@@]2([C@]3([H])C(C([H])([H])[H])=C([H])C2([H])[H])[C@@]3([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]
TCMBANKIN037862	Ignavine	Hetisan-2,13,9,15-tetrol, 2-benzoate, (2-alpha,3-beta,15-beta)-; Ignavine; AC1MHZ5Y; LS-74800; BRN 5655872		449.54
TCMBANKIN038683	Piperundecalidine			367.5 g/mol
TCMBANKIN038721	Undulatone	undulatone; C08787; 70993-77-0		534.55
TCMBANKIN039729	3-phenylundecane	Benzene, (1-ethylnonyl)-; (1-Ethylnonyl)benzene #; NVHBFHMWJJMQTG-UHFFFAOYSA-N; 4536-87-2; Undecane, 3-phenyl-; Benzene,(1-ethylnonyl)-; CTK1D6306; 3-Phenylundecane; undecan-3-ylbenzene; AKOS028110579; (1-ETHYLNONYL)BENZENE; AC1L2GQ6; 3-Phenglundecane	C17H28	232.4 g/mol	CCCCCCCCC(CC)C1=CC=CC=C1
TCMBANKIN042452	piperlonguminine	(2E,4E)-5-(1,3-benzodioxol-5-yl)-N-isobutylpenta-2,4-dienamide; 5950-12-9; Piperlonguminine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide; (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-isobutyl-penta-2,4-dienamide; NSC125178; 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)penta-2,4-dienamide; 5-(1,3-benzodioxol-5-yl)-N-isobutylpenta-2,4-dienamide; 5-(1,3-benzodioxol-5-yl)-N-isobutyl-penta-2,4-dienamide	C16H19NO3	273.33 g/mol	CC(C)CNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2
TCMBANKIN042527	Dehydropipernonaline			339.43
TCMBANKIN046676	Pellitorin	AIDS210374; 2,4-Decadienamide, N-(2-methylpropyl)-; (2E,4E)-N-isobutyldeca-2,4-dienamide; 4-04-00-00636 (Beilstein Handbook Reference); N-Isobutyldeca-trans-2-trans-4-dienamide; (E,E)-N-Isobutyl-2,4-decadienamide; 2,4-Decadienamide, N-(2-methylpropyl)-, (E,E)-; AI3-19560; Pellitorine; trans-Pellitorin; (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide; (E,E)-N-(2-Methylpropyl)-2,4-decadienamide; 2,4-DECADIENAMIDE, N-ISOBUTYL-, (E,E)-; MEGxp0_000048; N-(2-Methylpropyl)-2,4-Decadienamide; 2,4-Decadienamide, N-(2-methylpropyl)-, (2E,4E)-; 53608-76-7; BRN 1725967; Pellitorine (6CI); 109-26-2; N-Isobutyldeca-trans-2,trans-4-dienamide; AIDS-210374; 18836-52-7	C14H25NO	223.35	CCCCCC=CC=CC(=O)NCC(C)C
TCMBANKIN047208	Sylvatine			383.52
TCMBANKIN047645	aconitine	aconitine ; Aconitine	C34H47NO11	646	C1([H])([H])[C@]([H])(OC([H])([H])[H])[C@]2([C@@]([H])([C@@]([H])([C@]3(OC(C([H])([H])[H])=O)[C@@]([H])([C@@]([H])(OC(=O)c4c([H])c([H])c([H])c([H])c4[H])[C@]([C@]([H])(OC([H])([H])[H])[C@]3([H])O[H])( O[H])C5([H])[H])[C@]25[H])[C@]6([H])OC([H])([H])[H])N(C([H])([H])C([H])([H])[H])C7([H])[H])[C@@]6([H])[C@@]7(C([H])([H])OC([H])([H])[H])[C@]1([H])O[H]
TCMBANKIN048200	hypaconitine	Hypaconitine; aconitine alkaloids	C33H45NO10	616	C1([H])([H])[C@]([H])(OC([H])([H])[H])[C@]2([C@@]([H])([C@@]([H])([C@]3(OC(C([H])([H])[H])=O)[C@@]([H])([C@@]([H])(OC(=O)c4c([H])c([H])c([H])c([H])c4[H])[C@]([C@]([H])(OC([H])([H])[H])[C@]3([H])O[H])( O[H])C5([H])[H])[C@]25[H])[C@]6([H])OC([H])([H])[H])N(C([H])([H])[H])C7([H])[H])[C@@]6([H])[C@@]7(C([H])([H])OC([H])([H])[H])C1([H])[H]
TCMBANKIN049264	mesaconitine		C33H45NO11	632	C1([H])([H])[C@]([H])(OC([H])([H])[H])[C@]2([C@@]([H])([C@@]([H])([C@]3(OC(C([H])([H])[H])=O)[C@@]([H])([C@@]([H])(OC(=O)c4c([H])c([H])c([H])c([H])c4[H])[C@]([C@]([H])(OC([H])([H])[H])[C@]3([H])O[H])( O[H])C5([H])[H])[C@]25[H])[C@]6([H])OC([H])([H])[H])N(C([H])([H])[H])C7([H])[H])[C@@]6([H])[C@@]7(C([H])([H])OC([H])([H])[H])[C@]1([H])O[H]
TCMBANKIN050190	3-phenglundecane			232.404
TCMBANKIN057142	Ruvoside	UN2330; 1120-21-4; CAS-1120-21-4; LTBB002321; LS-158394; UN 2330; UNII-JV0QT00NUE; DSSTox_CID_1689; AI3-21126; U203; ACMC-209t6p; MolPort-001-783-218; Jsp000912; CCRIS 3796; Undecane [UN2330] [Flammable liquid]; EC 214-300-6; UND; undecyl group; 4-01-00-00487 (Beilstein Handbook Reference); KSC176C3J; Undecane; ANW-42095; 175476-97-8; DSSTox_RID_76285; AC1L23G2; n-Undecane, 99% 50g; Undekan; Undecane, 99%; QSPL 058; 17398EC4-D16F-42F6-8A27-60F8EC075469; BRN 1697099; Undecane, >=99%; TR-002350; InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H; UNDECAN-2-YL; MCULE-7319807036; NSC 66159; EINECS 214-300-6; J-002689; RSJKGSCJYJTIGS-UHFFFAOYSA-N; NCGC00254001-01; DTXSID9021689; n-C11H24; U0002; S0283; undecan; DSSTox_GSID_21689; SC-79237; CHEMBL132474; Undecane, analytical standard; JV0QT00NUE; MFCD00008959; Hendekan; HSDB 5791; CH3-[CH2]9-CH3; NCGC00247896-01; C-28174; CC-33184; N-UNDECANE; AKOS005145675; FT-0633353; AN-20593; 61193-21-3; 55101-35-4; KS-00000WJI; NSC66159; NSC-66159; I14-60624; ZINC1693211; Hendecane; Decane, methyl-; n-Hendecane; LMFA11000591; CHEBI:46342; TRA0090240; Undecane [UN2330] [Flammable liquid]; DB-041031; CTK0H6134; RTR-002350; Tox21_300076;LMFA11000001; Tridekan; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; CH3-[CH2]11-CH3; 629-50-5; 91490_FLUKA; 442713_SUPELCO; HSDB 5727; n-Tridecane; EINECS 211-093-4; NSC66205; T57401_ALDRICH; Tridecane; CHEBI:35998; NSC 66205; TRIDECANE, N-; C13834;Tridekan; UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N; MCULE-7749861366; U393; DB-054344; Tridecane_GurudeebanSatyavani; ACMC-209t6w; C13H28; C13834; N-TRIDECANE; 757DB156-6441-49B0-A824-1532074AC0F6; NCGC00257175-01; IIYFAKIEWZDVMP-UHFFFAOYSA-N; Tridecane, >=99%; TL8004327; MolPort-003-933-018; LS-157141; AN-22061; STL301147; CAS-629-50-5; tridecan; LMFA11000001; SC-74775; AC1L1ZHL; LTBB002872; DSSTox_CID_7266; C-28190; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; Tridecane, 99.0%; TRA0008560; I14-59696; KSC353S8D; UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N; S0285; Dodecane, methyl-; AKOS016011009; FT-0632663; Tridecane, analytical standard; Alkanes, C12-14; MFCD00008979; UNII-A3LZF0L939; DSSTox_GSID_27266; RT-000404; CHEMBL135694; tridecyl group; KS-00000XDT; ST24031950; HSDB 5727; EINECS 211-093-4; AC1Q28TY; DSSTox_RID_78377; FT-0082500; DTXSID6027266; CC-33178; A3LZF0L939; Tox21_303043; NSC-66205; Tridecane; CH3-[CH2]11-CH3; CTK2F3981; TRD; EC 211-093-4; NSC66205; AK115985; ANW-42102; 629-50-5; CHEBI:35998; NSC 66205; TRIDECANE, N-; ZINC1693738;n-tridecane;TRD	C30H46O9		[C@]1([H])(OC([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3([H])[C@@](C([H])([H])O[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])( C4=C([H])C(=O)OC4([H])[H])C([H])([H])C5([H])[H])[C@]56O[H])[C@@]6([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]1([H])O[H]
TCMBANKIN057914	erythropterin	SCHEMBL16431216; AC1O5O43; MXU723R25N; UNII-MXU723R25N; (3Z)-3-(2-amino-4,6-dioxo-5,8-dihydro-1H-pteridin-7-ylidene)-2-oxopropanoic acid; Erythropterin; EINECS 231-214-4; 7449/3/8; (3Z)-3-(2-amino-4,6-dioxo-5,8-dihydro-1H-pteridin-7-ylidene)-2-oxo-propanoic acid; (3Z)-3-(2-amino-4,6-diketo-5,8-dihydro-1H-pteridin-7-ylidene)-2-keto-propionic acid; 3-(2-Amino-4,5,6,8-tetrahydro-4,6-dioxopteridin-7(3H)-ylidene)-2-oxopropionic acid; 7449-03-8; EINECS 231-214-4; (3Z)-3-(2-amino-4,6-dioxo-5,8-dihydro-1H-pteridin-7-ylidene)-2-oxopropanoic acid	C9H7N5O5	265.18 g/mol	C(=C(C(=O)O)O)C1=NC2=C(C(=O)NC(=N2)N)NC1=O
TCMBANKIN058044	(Z)-9,17-octadecadienal	(9Z)-octadeca-9,17-dienal; (9Z)-9,17-Octadecadienal; 9,17-Octadecadienal, (Z)-; 56554-35-9; 9,17-OCTADECADIENAL (Z)	C18H32O	264.4 g/mol	C=CCCCCCCC=CCCCCCCCC=O
TCMBANKIN058194	bisdemethoxycurcumin	C17743; MolPort-001-742-514; MEGxp0_001762; InChI=1/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-13,20-22H/b11-5+,12-6+,18-13; SMR001397224; MCULE-7789528500; MLS002473127; (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one; 1,4,6-Heptatrien-3-one, 5-hydroxy-1,7-bis(4-hydroxyphenyl)-,(1E,4Z,6E)-; NCGC00179852-01; bis demethoxy curcumin; 1,7-Bis(4-hydroxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one; NP-010021; ZINC100067315; VUF-9014; HMS2224E08; AC1NT56O; CHEMBL131770; ACon1_002080; BDBM50145907; (1E,4Z,6E)-1,7-Bis(4-hydroxyphenyl)-5-hydroxy-1,4,6-heptatriene-3-one; 52328-96-8; SCHEMBL609967; p,p-hydroxy-curucumin;curcumin iii;bis(4-hydroxycinnamoyl)methane	C19H16O4	308.33	C1=CC(=CC=C1C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O
TCMBANKIN058339	3-PhenylpropionicAcid	hydrocinnamic acid; Benzenepropanoic acid; HCI; phenylpropionic acid; InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11; Benzenepropionic acid; Dihydrocinnamic acid; 4-09-00-01752 (Beilstein Handbook Reference); 135232_ALDRICH; W288918_ALDRICH; 3-phenylpropionic acid; BETA-PHENYLPROPIONIC ACID; CCRIS 3199; Hydrocinnamic acid (8CI); NSC9272; Benzenepropanoic acid; AI3-00892; FEMA No. 2889; 56670_FLUKA; .beta.-Phenylpropionic acid; Phenylpropanoic acid; AIDS-110926; 501-52-0; 3-Phenylpropanoic acid; beta-Phenylpropioic acid; Benzylacetic acid; Phenylpropionic acid; C05629; BRN 0907515; NSC 9272; ST5308541; Phenylpropanoate; 3-Phenyl-propionic acid; EINECS 207-924-5; AIDS110926	C9H10O2	150.17 g/mol	C1=CC=C(C=C1)CCC(=O)O
TCMBANKIN058348	Benzenepropanol	phenylpropyl alcohol;benzylethyl-alcohol;NCGC00165987-01; 3-Benzenepropanol; Hydrocinnamyl alcohol; 3-Phenylpropan-1-ol; 1-Propanol, 3-phenyl-; BRN 1857542; 4-06-00-03198 (Beilstein Handbook Reference); FEMA No. 2885; gamma-Phenylpropanol; (3-Hydroxypropyl)benzene; 3-Phenylpropanol; Hydrocinnamic alcohol; .gamma.-Phenylpropanol; NSC 16942; NSC16942; 3-Phenyl-n-propanol; 1335-12-2; EINECS 215-621-4; 79000_FLUKA; EINECS 204-587-6; AI3-02067; benzene propanol; .gamma.-Phenylpropyl alcohol; 3-Phenylpropyl alcohol; CCRIS 3200; 3-Phenyl-1-propanol (natural); W288500_ALDRICH; Phenylpropyl alcohol; InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H; 3-Phenyl-1-propanol; 140856_ALDRICH; Dihydrocinnamal alcohol; ZINC01571261; 1-Propanol, phenyl-; 122-97-4; 1-Hydroxy-3-phenylpropane; 3-PHENYL-PROPAN-(1)-OL; Benzylethyl alcohol; 3-Phenylpropanol-1	C9H12O	136.19	C1=CC=C(C=C1)CCCO
TCMBANKIN058459	Ranachrome 4	ZINC00901885; 2-Amino-4,7-dihydroxypteridine; 4,7(3H,8H)-Pteridinedione, 2-amino-; Isoxanthopterin; NCI60_000432; SpecPlus_000308; 2-Amino-4,7(3H,8H)-pteridinedione; 2-Amino-4,7-pteridinediol; Spectrum_000248; NSC 118090; NSC614991; 529-69-1; EU-0100712; 4,7(1H,8H)-Pteridinedione, 2-amino- (9CI); NCGC00015564-01; Lopac0_000712; 2-Aminopteridine-4,7-diol; NSC118090; DivK1c_006404; C03975; 2-amino-1,8-dihydropteridine-4,7-quinone; KBio2_003296; 2-amino-1,8-dihydropteridine-4,7-dione; KBio1_001348; 2-Amino-4,7-dihydroxy-1,3,5,8-tetraazanaphthalene; Lopac-I-7388; I7388_SIGMA; CHEBI:16713; 2-AMINO-4,7(1H,8H)-PTERIDINEDIONE; Spectrum4_001242; KBioSS_000728; KBio2_000728; KBio2_005864; 4,7(1H,8H)-Pteridinedione, 2-amino-; KBioGR_001764; EINECS 208-469-5; ST5451823; isoxanthopterin	C6H5N5O2	179.14 g/mol	C1=NC2=C(NC1=O)N=C(NC2=O)N
TCMBANKIN058613	trans-Decahydronaphthalene	decahydronaphthalene; decahydro naphthalene; CIS-DECAHYDRONAPHTHALENE; Naphthane	C10H18	138.25 g/mol	C1CCC2CCCCC2C1
TCMBANKIN058619	isochavicine	KBio2_003371; AIDS024972; SPBio_002547; ZINC01529772; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (E,E)-; 1-[5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]piperidine; DivK1c_000954; NSC242267; CCRIS 5572; Chavicine; UNII-95JV386FPD; AC1LU7IN; CAS-94-62-2; SCHEMBL119081; CHEMBL1395862; piperine; chavicine; isopiperine; (Z,Z)-1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine; NCGC00016355-01; Chavicin; 95JV386FPD; 495-91-0; cis-Piperine; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-, (Z,Z)-; MXXWOMGUGJBKIW-PORYWJCVSA-N; (2Z,4Z)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; ZINC5368587; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,Z)-; 1-(5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, (E,E)-; P49007_ALDRICH; BSPBio_000608; 7780-20-3; Piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; 1-[5-(3,4-pentadienyl]piperidine; Piperin; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-; Piperine (aliphatic); piperine ; SCHEMBL14171509; Spectrum2_000049; KBioSS_000803; 1-PIPEROYL-(E,E)-PIPERIDINE; ZINC5945454; IDI1_000954; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (Z,E)-; NCGC00094872-03; Prestwick1_000474; 1-Piperoyl-piperidine; InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3; NCGC00094872-01; Piperidine, 1-piperoyl-, (E,E)-; Piperidine, 1-[5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; SR-01000638580-1; Piperidine,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl]-; UNII-Z3C7H03C5M; KBio1_000954; BPBio1_000670; N-[(E,E)-piperoyl]-piperidine; 1-Piperoylpiperidine; Piperidine, 1-(5-(3,4-methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)-; 5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NCGC00094872-02; Z3C7H03C5M; (2Z,4E)-5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENTA-2,4-DIEN-1-ONE; piperidine, 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; NSC21727; 1-(5-(3,4-Methylenedioxyphenyl)-1-oxo-2,4-pentadienyl)piperidine; Spectrum_000323; (2Z,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1,3-Benzodioxol-5-yl-1-oxo-2,4-pentadienyl-piperine; (E,E) 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)- (9CI); Spectrum4_000708; 1-Piperoylpiperidine, (E,E)-; KBio3_002015; Prestwick3_000474; AIDS-024972; Spectrum3_000868; KBio2_005939; Prestwick_398; Prestwick0_000474; Prestwick2_000474; Piperidine, 1-((2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (E,E)-1-piperoylpiperidine; FEMA No. 2909; SPBio_000177; C03882; 147030-08-8; N-[(E,E)-Piperoyl]piperidine; 80810_FLUKA; Piperoylpiperidine; 5-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one; Spectrum5_001507; 94-62-2; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine; W290904_ALDRICH; NINDS_000954; BSPBio_002515; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine; 1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine; Piperine; 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; Piperidine,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-; KBioGR_001235; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidino-penta-2,4-dien-1-one; NSC 242267; AC1LU7IP; SDCCGMLS-0066693.P001; AI3-01439; NSC 21727; Isopiperine; KBio2_000803; Piperidine, 1-(5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-; (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one; CHEBI:28821; ST5307921; 30511-76-3; NSC-242267; SPECTRUM1500873; EINECS 202-348-0	C17H19NO3	285.34 g/mol	C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3
TCMBANKIN058621	1-[1-oxo-9(3,4-methylenedioxyphenyl)-2 e,8 e-nonadienyl] piperidine	1-[1-oxo-9(3,4-methylenedioxyphenyl)-2e,8 e-nonadienyl] piperidine			C1CCN(CC1)C(=O)C=CCCCCC=CC2=CC3=C(C=C2)OCO3
TCMBANKIN058628	PIP	643602_ALDRICH; LS-3053; CHEBI:18049; EINECS 203-813-0; NCIOpen2_007828; CCRIS 967; W290807_ALDRICH; Hexazane; Piperidine [UN2401] [Corrosive]; InChI=1/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H; Piperidin [German]; Hexahydropyridine; FEMA No. 2908; 411027_ALDRICH; Perhydropyridine; AI3-24114; 80640_FLUKA; Pentamethylenimine; Pyridine, hexahydro-; Cyclopentimine; Piperidine solution; Piperidine; UN2401; 571261_SIAL; 80645_FLUKA; C01746; Pentamethyleneimine; Cypentil; Azacyclohexane; ST5213814; 33537_RIEDEL; HSDB 114; Piperidine on Rasta Resin; 104094_SIAL; 110-89-4; NCIMech_000312;BG00956967; BCP0726000204; AN-3762; DTXSID30705359; (7bR,10aR)-2,3,4,7B,8,9,10,10a-Octahydro-1H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indolehydrochloride; CO-124; AX8163273; (11R,15R)-7,10-DIAZATETRACYCLO[8.5.1.0?,(1)?.0(1)(1),(1)?]HEXADECA-1(16),2,4-TRIENE HYDROCHLORIDE; WAY163909-HCl; (7BR,10AR)-2,3,4,7B,8,9,10,10A-OCTAHYDRO-1H-CYCLOPENTA[B][1,4]DIAZEPINO[6,7,1-HI]INDOLE HYDROCHLORIDE; AKOS016002206; 428868-35-3; PS-J-141; AK-38565; (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole--hydrogen chloride (1/1); (11R,15R)-7,10-DIAZATETRACYCLO[8.5.1.0?,(1)?.0(1)(1),(1)?]HEXADECA-1,3,5(16)-TRIENE HYDROCHLORIDE; KB-277464; (7bR,10aR)-1,2,3,4,8,9,10,10a-Octahydro-7bH-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole hydrochloride; (7BR,10AR)-2,3,4,7B,8,9,10,10A-Octahydro-1H-cyclopenta[b][1,4diazepino][6,7,1-HI]indole hydrochloride;piperidine	C5H11N	85.15 g/mol	C1CCNCC1
TCMBANKIN058653	PIPERONYLIC ACID	3,4-(Methylenedioxy)benzoic acid; P49805_ALDRICH; SDCCGMLS-0065919.P002; KBio2_006780; 3,4-Methylenedioxybenzoic acid; NSC10072; Protocatechuic acid methylene ether; 94-53-1; AIDS018074; FR-1276; KBio2_004212; 5-Benzodioxolecarboxylic acid; KBioSS_001644; KBio3_002023; BSPBio_002803; Heliotropic acid; 3,4-Methylene dioxybenzoic acid; NCGC00095970-01; AI3-05972; 80860_FLUKA; SBB003897; 1,3-Benzodioxole-5-carboxylic acid; Spectrum3_001022; Spectrum_001164; KBioGR_001723; Benzoic acid, 3,4-(methylenedioxy)-; AIDS-018074; KBio2_001644; EINECS 202-342-8; 3,4-Dioxymethylenebenzoic acid; Spectrum4_001152; SDCCGMLS-0065919.P001; NSC 10072; SPECTRUM500580; piperonylic acid; 3,4-methylenedioxybenzoic acid	C8H6O4	166.13	C1OC2=C(O1)C=C(C=C2)C(=O)O
TCMBANKIN058655	Tetrahydropiperic acid	5-(1,3-benzodioxol-5-yl)pentanoic acid; 5-(3,4-Methylenedioxyphenyl)pentanoic acid; 1,3-Benzodioxole-5-pentanoic acid; DTXSID90415785; Tetrahydropiperinic acid; AKOS022272666; 1,3-Benzodioxole-5-pentanoic acid, 9CI; tetrahydropiperic acid; 41917-45-7; AC1NT0WD; tetrahydropipericacid; 5-(1,3-benzodioxol-5-yl)valeric acid; Piperhydronic acid; CTK1C8738; 5-(2H-1,3-BENZODIOXOL-5-YL)PENTANOIC ACID	C12H14O4	222.24 g/mol	C1OC2=C(O1)C=C(C=C2)CCCCC(=O)O
TCMBANKIN058761	(E)ocimene	(E)- ocimene; (E)-ocimene;p-Ocimene;3,7-Dimethyl-1,3,6-octatriene;trans-ocimene;trans- beta- Ocimene;ocimene;β-trans-ocimene;3,7-dimethyl-1,3e,6-octatriene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;trans-β-Oci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene;3,7-Dimethylocta-1,3,6-triene; 3,7-Dimethyl-1,3,6-octatriene (natural); beta-trans-Ocimene; EINECS 223-241-5; 74730_FLUKA; 11009-78-2; ST5410145; 3,7-Dimethyl-1,3,6-octatrien; 27400-72-2; FEMA No. 3539; 3,7-DIMETHYL-1,3,6-OCTATRIENE; (E)-3,7-Dimethyloctatriene; 1856-63-9; 11022-64-3; EINECS 237-641-2; BETA-OCIMENE, TRANS; 1,3,6-Octatriene, 3,7-dimethyl-, (E)-; .beta.-trans-Ocimene; 13877-91-3; .beta.-Ocimene; Octatriene, 3,7-dimethyl-, (E)-; beta-Ocimene; trans-beta-Ocimene; 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene, beta-; 3779-61-1; (E)-3,7-Dimethylocta-1,3,6-triene; Ocimene trans-beta-form; (3E)-3,7-dimethylocta-1,3,6-triene; C09873;ci-mene; Trans- β- ocimene; trans-beta-ocimene;EINECS 249-805-0; AC1O5HAL; LS-98065; (3E,5E)-3,7-dimethylocta-1,3,5-triene; 2,6-Dimethyloctane, hexadehydro derivative; 29714-87-2; Dimethyloctatriene (mixed isomer);beta-trans-ocimene	C10H16	136.23 g/mol	CC(=CCC=C(C)C=C)C
TCMBANKIN058851	linalool	Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool	C10H18O	154.25 g/mol	CC(=CCCC(C)(C=C)O)C
TCMBANKIN058936	Hypnon	1-Phenylethanone; InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H; C07113; Acetylbenzene; ZINC00896628; Ethanone, 1-phenyl-; Acetophenon; 00790_FLUKA; Ketone, methyl phenyl; WLN: 1VR; 442438_SUPELCO; Methyl phenyl ketone; Usaf ek-496; 42163_FLUKA; Ketone, methyl phenyl-; Benzoyl methide; AI3-00575; AIDS-017929; W200905_ALDRICH; FEMA Number 2009; RCRA waste number U004; FEMA No. 2009; Phenyl methyl ketone; NSC 7635; RCRA waste no. U004; NSC7635; A10701_ALDRICH; 98-86-2; CCRIS 1341; AC0; Acetophenone; ST5213401; EINECS 202-708-7; CHEBI:27632; Hypnone; 1-phenylethan-1-one; HSDB 969; Benzoylmethide; 1-Phenyl-1-ethanone; Benzene, acetyl-; c0117; AIDS017929; Acetofenon [Czech]; Acetylbenzol;1-(Phenyl-D5)-Ethanon; NSC 98542-d5; 1-[(2,3,4,5,6-(2)H?)PHENYL]ETHANONE; Acetophenone-(phenyl-d5), 99 atom % D; ACM28077647; DTXSID70466417; Acetophenone-2',3',4',5',6'-d5; Acetophenon-d5; pentadeuterophenyl methyl ketone; FT-0661057; Acetylbenzene-d5; Hypnone-d5; MFCD00064446; 1-(Phenyl-d5)ethanone; 1-(2,3,4,5,6-pentadeuteriophenyl)ethanone; Acetophenone-2/',3/',4/',5/',6/'-d5; SCHEMBL1332185; Methyl (Phenyl-d5) Ketone; DE155; J-016964; 28077-64-7; 1-(Phenyl-d5)-1-ethanone; MolPort-003-929-975; NSC 7635-d5; (Phenyl-d5) Methyl Ketone; Acetophenone-(phenyl-d5); Acetophenone-d5; Acetophenone-2 inverted exclamation marka,3 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka,6 inverted exclamation marka-d5; Hypnon-d5; 1-Feniletanone-d5; Acetophenone-(phenyl-d5) 99 atom % D; 1-Phenylethanone-d5; Acetophenone-2'3'4'5'6-d5;phenyl-ethanone;acetophenone;phenylethanone;1-phenylethanone	C8H8O	120.15 g/mol	CC(=O)C1=CC=CC=C1
TCMBANKIN059175	delta-elemene	delta-Elemene; g-elemene; cyclohexene,4-ethenyl-4-methyl-3-[1-methylethenyl]-1-[1-methylethyl]-; δ- elemene	C15H24	204.35	CC(C)C1=CC(C(CC1)(C)C=C)C(=C)C
TCMBANKIN059195	(1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane	(1S,5S)-1-isopropyl-4-methylene-bicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane; (1S,5S)-4-methylidene-1-propan-2-yl-bicyclo[3.1.0]hexane	C10H16	136.23 g/mol	CC(C)C12CCC(=C)C1C2
TCMBANKIN059268	guineensine	55038-30-7; (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide; (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)trideca-2,4,12-trienamide; (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-N-isobutyl-trideca-2,4,12-trienamide	C24H33NO3	383.5 g/mol	CC(C)CNC(=O)C=CC=CCCCCCCC=CC1=CC2=C(C=C1)OCO2
TCMBANKIN059270	5,6-dihydropiperlonguminine	4,5-dihydropiperlonguminine;dihydropiperlonguminine	C16H21NO3	275.34 g/mol	CC(C)CNC(=O)C=CCCC1=CC2=C(C=C1)OCO2
TCMBANKIN059438	2-methoxy-4-propenyl phenol		C10H12O2	164.2 g/mol	CC=CC1=CC(=C(C=C1)O)OC
TCMBANKIN059521	B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene		C10H16	136.23 g/mol	CC1(C2CCC(=C)C1C2)C
TCMBANKIN059531	eucalyptol		C10H18O	154.25 g/mol	CC1(C2CCC(O1)(CC2)C)C
TCMBANKIN059532	(1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one		C10H16O	152.23 g/mol	CC1(C2CCC1(C(=O)C2)C)C
TCMBANKIN059649	Isolongifolene epoxide		C15H24O	220.35 g/mol	CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C
TCMBANKIN059905	p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene		C10H14	134.22 g/mol	CC1=CC=C(C=C1)C(C)C
TCMBANKIN059964	α-cadinol		C15H26O	222.37g/mol	CC1=CC2C(CCC(C2CC1)(C)O)C(C)C
TCMBANKIN059970	1, 4-Cyclohexadiene, 1-methyl-4-(1-methylethyl);crithmene;4-Isopropyl-1-methyl-1,4-cyclohexadiene;Moslene;gamma-terpinene		C10H16	136.23 g/mol	CC1=CCC(=CC1)C(C)C
TCMBANKIN059983	β-bisabolene		C15H24	204.35 g/mol	CC1=CCC(CC1)C(=C)CCC=C(C)C
TCMBANKIN060009	copaene; (-)-Alpha-Copaene; α-copaene		C15H24	204.35 g/mol	CC1=CCC2C3C1C2(CCC3C(C)C)C
TCMBANKIN060459	1,4-diene juniper		C15H24		CC1CCC(C2C1=CCC(=C2)C)C(C)C
TCMBANKIN060460	b-Cubebene		C15H24	204.35 g/mol	CC1CCC(C2C13C2C(=C)CC3)C(C)C
TCMBANKIN060468	(+)-calaren		C15H24	204.35	CC1CCC=C2C1(C3C(C3(C)C)CC2)C
TCMBANKIN060617	1,2,5,6-tetrahydrotanshinone		C18H16O3	280.3 g/mol	CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC=C4C
TCMBANKIN060864	N-isobutyl-decatrans-2-trans-4-dienamide		C14H25NO	223.35 g/mol	CCCCCC=CC=CC(=O)NCC(C)C
TCMBANKIN061011	1-tridecene; Tridecylene; tridecene		C13H26	182.35	CCCCCCCCCCCC=C
TCMBANKIN061016	tridecane		C13H28	184.36 g/mol	CCCCCCCCCCCCC
TCMBANKIN061037	1-pentadecene		C15H30	210.4 g/mol	CCCCCCCCCCCCCC=C
TCMBANKIN061043	MYS		C15H32	212.41	CCCCCCCCCCCCCCC
TCMBANKIN061058	n-hexadecane		C16H34	226.44 g/mol	CCCCCCCCCCCCCCCC
TCMBANKIN061079	hexahydroaplotaxene		C17H34	238.5 g/mol	CCCCCCCCCCCCCCCC=C
TCMBANKIN061085	n-heptadecane;heptadecane;Heptadekan		C17H36	240.5 g/mol	CCCCCCCCCCCCCCCCC
TCMBANKIN061097	Nonadecene		C19H38	266.5 g/mol	CCCCCCCCCCCCCCCCCC=C
TCMBANKIN061177	dodecanol		C12H26O	186.33 g/mol	CCCCCCCCCCCCO
TCMBANKIN061240	neoline		C24H39NO6	437.57	CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)O)COC
TCMBANKIN061422	Methyl hydrocinnamate	NSC404188; Methyl .beta.-phenylpropionate; Methyl dihydrocinnamate; W274100_ALDRICH; FEMA No. 2741; ZINC00396313; NSC 10128; METHYL PHENYLPROPIONATE; 3-phenylpropionic acid methyl ester; AI3-02453; Methyl 3-phenylpropanoate; Methyl 3-phenylpropionate; ST5407904; EINECS 203-092-2; NSC10128; 103-25-3; Hydrocinnamic acid, methyl ester (8CI); Methyl beta-phenylpropionate; .beta.-Phenylpropionic acid methyl ester; Benzenepropanoic acid, methyl ester; Methyl benzenepropanoate; 3-phenylpropanoic acid methyl ester; beta-Phenylpropionic acid methyl ester; Hydrocinnamic acid, methyl ester	C10H12O2	164.2 g/mol	COC(=O)CCC1=CC=CC=C1
TCMBANKIN061571	curcumin ii	demethoxycurrcumin;24939-17-1; D03EDF; AC1NV635; SCHEMBL2553051; Demethoxycurcumin; CHEBI:65737; X1121; 33171-16-3; (1E,6E)-1-(4-Hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; (1E,6E)-1-(4-HYDROXY-3-METHOXY-PHENYL)-7-(4-HYDROXYPHENYL)HEPTA-1,6-DIENE-3,5-DIONE; AK198734; 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; monodemethoxycurcumin; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione; (2E)-Demethoxy Curcumin; BHCFM; feruloyl-p-coumaroylmethane; CS-3738; (1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one; Demethoxycurcumin, >=98% (HPLC); 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; Feruloyl-P-hydroxycinnnamoylmethane; cid_5324476; NSC-687841; 9331AF; W2F8059T80; p-hydroxycinnamoylferuloylmethane; demethoxy-curcumin; 4-hydroxycinnamoyl(feruloyl)methane; AKOS015903509; 1-(4-Hydroxy-3-methoxyphenyl)-7-(p-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 22608-11-3; 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, 9CI; p-Hydroxycinnamoylferuloylmethane; ZINC5115722; UNII-W2F8059T80; BDBM50163744; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; N1720; MolPort-016-638-373; 4-Hydroxycinnamoyl(feroyl)methane; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- (VAN); 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (1E,6E)-; HY-N0006; BG01626458; Q-100287; I14-18646; curcuminII; MolPort-044-724-513; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-; NSC687841; 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one; 1281950-91-1; Ambap22608-11-3; 85801-93-0; (E,E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 1-(4-Hydroxystyryl)-3-(3-methoxy-4-hydroxystyryl)propanedial; SCHEMBL431246; Demethoxycurcumin, analytical standard; (1E,6E)-1-(4-Hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione; demethoxycurrcumin; AK544533; MFCD03427310; SCHEMBL13521973;24939-17-1; D03EDF; AC1NV635; SCHEMBL2553051; Demethoxycurcumin; CHEBI:65737; X1121; 33171-16-3; (1E,6E)-1-(4-Hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione; (1E,6E)-1-(4-HYDROXY-3-METHOXY-PHENYL)-7-(4-HYDROXYPHENYL)HEPTA-1,6-DIENE-3,5-DIONE; AK198734; demethoxy curcumin; 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; monodemethoxycurcumin; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione; (2E)-Demethoxy Curcumin; BHCFM; feruloyl-p-coumaroylmethane; CS-3738; (1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,4,6-trien-3-one; Demethoxycurcumin, >=98% (HPLC); 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; Feruloyl-P-hydroxycinnnamoylmethane; cid_5324476; NSC-687841; 9331AF; W2F8059T80; AIDS110025; demethoxy-curcumin; (1E,6E)-1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; 4-hydroxycinnamoyl(feruloyl)methane; AKOS015903509; 1-(4-Hydroxy-3-methoxyphenyl)-7-(p-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 22608-11-3; 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, 9CI; p-Hydroxycinnamoylferuloylmethane; ZINC5115722; UNII-W2F8059T80; 1-(4-hydroxy-3-methoxy-phenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione; BDBM50163744; (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; N1720; MolPort-016-638-373; 4-Hydroxycinnamoyl(feroyl)methane; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)- (VAN); 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-, (1E,6E)-; HY-N0006; BG01626458; Q-100287; I14-18646; curcuminII; MolPort-044-724-513; 1,6-Heptadiene-3,5-dione, 1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-; NSC687841; 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one; 1281950-91-1; Ambap22608-11-3; 85801-93-0; (E,E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione; 1-(4-Hydroxystyryl)-3-(3-methoxy-4-hydroxystyryl)propanedial; SCHEMBL431246; Demethoxycurcumin, analytical standard; (1E,6E)-1-(4-Hydroxy-3-methoxy-phenyl)-7-(4-hydroxy-phenyl)-hepta-1,6-diene-3,5-dione; AIDS-110025; AK544533; MFCD03427310; SCHEMBL13521973;demethoxycurcumin	C20H18O5	338.35	COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O
TCMBANKIN061771	piplartine	Prestwick_399; 1-[3-(3,4,5-Trimethoxy-phenyl)-acryloyl]-5,6-dihydro-1H-pyridin-2-one; 5,6-Dihydro-1-(3,4,5-trimethoxycinnamoyl)-2(1H)-pyridone; MolPort-001-741-398; CHEMBL465843; HMS2096J10; J-012992; BPBio1_000560; NCGC00096028-01; CHEBI:8241; BRD-K24132293-001-05-3; BRD-K24132293-001-09-5; AM-730/20761034; ZB015157; (E)-1-[3-(3,4,5-Trimethoxyphenyl)acryloyl]-5,6-dihydropyridin-2(1H)-one; AC1LCV4N; 2659AH; (E)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one; PPLGM; SCHEMBL2465593; (2E)-1-(1,2,5,6-Tetrahydro-2-oxopyridine-1-yl)-3-(3,4,5-trimethoxyphenyl)-2-propene-1-one; CCG-214375; Prestwick2_000604; Piperlongumine; BRD2293; 5,6-Dihydro-1-(1-oxo-3-[3,4,5-trimethoxyphenyl]-trans-2-propenyl)-2[1H]-pyridinone; SGD66V4SVJ; ZINC899053; NCGC00096028-03; 5,6-Dihydro-1-(3,4,5-trimethoxycinnamoyl)-2(1H)-pyridinone; MFCD00075706; 20069-09-4; C10166; SCHEMBL173092; BRD-K24132293-001-16-0; (E)-5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-2(1H)-pyridinone; Prop-2-en-1-one, 3-(3,4,5-trimethoxyphenyl)-1-(2,3-dihydropyridin-6(1H)-one-1-yl)-; Piplartin; 2(1H)-Pyridinone,5,6-dihydro-1-[(2E)-1-oxo- 3-(3,4,5-trimethoxyphenyl)-2-propenyl]-; A1-00162; HMS1569J10; VABYUUZNAVQNPG-BQYQJAHWSA-N; 5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-2(1H)-pyridinone, 9CI; 2(1H)-Pyridinone, 5,6-dihydro-1-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-, (E)-; SR-01000841248; ACon1_001541; UNII-SGD66V4SVJ; Prestwick3_000604; BSPBio_000508; HMS2234K24; 1-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoyl]-5,6-dihydro-2(1H)-pyridinone #; BRD-2293; 5,6-Dihydro-1-[1-oxo-3-(3,4,5-trimethoxyphenyl)-trans-2-propenyl]-2(1H)-pyridinone; NCGC00096028-04; SMR001233252; MLS002153903; N-(3,4,5-Trimethoxycinnamoyl)-D3-piperidin-2-one; P2361; 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,5,6-trihydropyridin-2-one; Piperlongumin; ST079382; CHEBI:92424; 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one; AKOS024284776; NCGC00096028-02; Piperlongumine, >=97% (HPLC); C-54604; s7551; 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-1,2,5,6-tetrahydropyridin-2-one; AK326371; 5,6-Dihydro-1-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-2(1H)-pyridinone; SR-01000841248-2; Piplartine; 4CN-2875; SPECTRUM1505135; piperlongumine	C17H19NO5	317.34 g/mol	COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O

植物对应的疾病

疾病ID	病名	疾病类型	MeSH	参考文献

植物对应的靶点

靶点ID	基因名	基因别名	描述	染色体位置	Map_Location	基因类型

TCMBank_ID:

TCMBANKHE008361

ID:

TCMBANKHE008361

功能与主治:

Cold pain in stomach duct and abdomen, vomiting, diarrhea, headache, toothache, deep-source nasal congestion, coronary heart disease, angina pectoris.

药用植物名:

荜茇

临床特征:

Its oily extract inhibits the growth of Staphylococcus aureus and Bacillus dysenteriae.

治疗类型:

温里药

TCM_ID_id:

3043

SymMap_id:

42

TCMSP_id:

53