TCMBANKIN000101 |
juglone |
Nucin; Iuglon; AIDS-005215; Spectrum2_000778; Spectrum3_001228; HMS503M13; DB-005382; KBio2_007606; cMAP_000058; UNII-W6Q80SK9L6; Antibiotic PD7; NCGC00095247-05; SCHEMBL34185; KBioGR_000497; KBio2_000497; AC1L1GR8; Walnut extract; NSC153189; 5-hydroxy-1,4-naphtoquinone; 1,4-Naphthalenedione,5-hydroxy-; HMS3403I19; HMS1990I19; MFCD00001684; KBio3_000913; BG01503871; QC-1358; Caswell No. 515AA; IN1286; AC1Q6B0X; 5-hydroxy-1,4-dihydronaphthalene-1,4-dione; RTR-030750; NSC-153189; BSPBio_001157; AB0019716; HMS1362I19; SPBio_000856; NSC 622948; Regianin; AIDS005215; KQPYUDDGWXQXHS-UHFFFAOYSA-N; AC1Q794F; 5-Hydroxy-1,4-naphthosemiquinone; NCGC00095247-01; 5-Hydroxy-1,4-naphthoquinone; V0179; SPECTRUM300038; Bio1_000441; C.I. Natural Brown 7; KBio3_000914; H47003_ALDRICH; 5-hydroxy-1,4- naphthalenedione; ST5330598; LS-2142; Akhnot; MolPort-000-725-926; 8-Hydroxy-1,4-naphthalenedione; BDBM24777; SMP1_000168; KBio2_003065; WLN: L66 BV EVJ GQ; KBio2_002470; NCI 2323; 1,4-NAPHTHALENEDIONE, 5-HYDROXY-; C.I. 75500; KBioSS_000497; juglone ; 5-Hydroxy-1,4-naphthalenedione; KBio3_002176; KBio2_003463; Juglane; KBio2_005633; D0C0NH; KS-0000195Q; Bio2_000409; 5-Hydroxy-[1,4]Naphthoquinone; 5-Hydroxy-1,4-naphthoquinone, 97%; Spectrum5_000357; Bio1_000930; KBio1_001026; NCGC00095247-03; 5-Hydroxy-1,4-naphthalenedione, 9CI; 5-Hydroxy-p-naphthoquinone; KBio2_005038; EINECS 207-567-5; 1,4-dihydro-1,4-dioxo-5-hydroxynaphthalene; 5-Hydroxynaphthalene-1,4-dione; D02FPF; 5-HNQ; Walnut Extract; CCG-40256; AN-23490; IDI1_002164; CHEBI:15794; AM20040546; KBioGR_002257; 5-hydroxy-naphthalene-1,4-dione; ZINC00526257; CHEMBL43612; 5-Hydroxy-1,4-naftochinon [Czech]; NCGC00095247-04; 1, 8-hydroxy-; KB-73530; 5-Hydroxy-1,4-naftochinon; HMS1792I19; J-650071; CTK8B1734; 1,4-Naphthoquinone, 5-hydroxy-; FCH1114383; ACN-049171; W6Q80SK9L6; NSC-34266; NSC622948; IDI1_001026; Juglon; Oil Red BS; Avastin+/-Tarceva; Q-100522; BSPBio_002676; NCGC00095247-02; DTXSID0031504; C-05811; DivK1c_001026; 1,4-Naphthoquinone, 5-hydroxy- (8CI); SDCCGMLS-0066542.P001; C03840; 5-Hydroxy-1,4-naphthlenedione; 3b7j; KBio2_006031; ANW-30636; AKOS001576598; F0451-0746; KBioGR_002470; JUG; 1,4-Naphthalenedione, 5-hydroxy-; HMS1923G07; I14-6718; NSC 153189; CC-21839; Spectrum_000415; InChI=1/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12; Jugnlon; KBioSS_002477; ACM481130; 59990_FLUKA; AK307307; CCRIS 5423; ZB014304; Yuglon; ZINC526257; KBio2_000895; 5-Hydroxynaphthoquinone; KBioSS_000895; D08PZH; 4-08-00-02368 (Beilstein Handbook Reference); KBio3_002948; NINDS_001026; BRN 1909764; Bio1_001419; NSC-622948; SR-05000002406-1; 5-hydroxy-1,4-naphthoquinone; MCULE-5238429657; 8-Hydroxy-1,4-naphthoquinone; Juglone; NSC34266; FT-0627559; 481-39-0; 1,4-Naphthoquinone, 8-hydroxy-; ACMC-1AFTN; CI 75500; Bio2_000889; Spectrum4_001769; SR-05000002406; 5-hydroxy-1,4-naphthoquinone, 4; ST50330598 |
C10H6O3 |
174.15 |
C1=CC2=C(C(=O)C=CC2=O)C(=C1)O |
TCMBANKIN007066 |
linalyl benzoate |
|
C17H22O2 |
258.35 g/mol |
CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1)C |
TCMBANKIN012548 |
2,3-o-(s)-hexahydroxydiphenoyl-d-gluco-pyranose |
|
C20H18O14 |
482.3 g/mol |
C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)OC4C(C(C(OC4O)CO)O)OC2=O)O)O)O |
TCMBANKIN015165 |
sanguiinh5 |
|
|
|
|
TCMBANKIN015543 |
linalyl acetate |
3ID3M89AV9; [(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate; (s)-linalyl acetate; Linalyl acetate, (+)-; CHEBI:78335; (+)-1,5-Dimethyl-1-vinylhex-4-enyl acetate; 51685-40-6; AC1OE5T3; UNII-3ID3M89AV9; linalyl acetate ; CJ-07639; CJ-32467; SCHEMBL15745424; AJ-33267; Coriandrol acetate; EINECS 257-347-8; ZINC2041035; (+)-linalyl acetate; (3S)-3,7-dimethylocta-1,6-dien-3-yl acetate; UNII-5K47SSQ51G component UWKAYLJWKGQEPM-GFCCVEGCSA-N |
C12H20O2 |
196.29 |
CC(=CCCC(C)(C=C)OC(=O)C)C |
TCMBANKIN017656 |
1,2-di-o-galloyl-4,6-o-(s)-hexahydroxydi-phenoyl-β-d-glucopyranose |
|
C34H26O22 |
|
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
TCMBANKIN017719 |
(4-hydroxy-1-vinyl carboxy-7-(3,4-dihydroxyphenyl)benzo[b]furan |
|
|
|
|
TCMBANKIN020301 |
beta-hydrojuglone |
β-hydrojuglone |
C10H8O3 |
176.17 g/mol |
C1CC(=O)C2=C(C1=O)C=CC=C2O |
TCMBANKIN027702 |
Citrusin B |
SCHEMBL7641595; 3-[3-Methoxy-4-[(beta-D-glucopyranosyl)oxy]phenyl]-2-[2,6-dimethoxy-4-[(E)-3-hydroxy-1-propenyl]phenoxy]-1,3-propanediol; citrusin B; citrusin b; 105279-10-5 |
C27H36O13 |
568.57 |
COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)O)OC)C=CCO |
TCMBANKIN036411 |
alpha-hydrojuglone |
α-hydrojuglone |
C10H8O3 |
176.17 g/mol |
C1=CC2=C(C=CC(=C2C(=C1)O)O)O |
TCMBANKIN037246 |
Praecoxin A |
|
|
952.6 g/mol |
|
TCMBANKIN037363 |
stenophyllanin A |
stenophyllanin a |
C56H40O31 |
1208.9 |
C1C(C(OC2=C1C(=CC(=C2C3C4C(OC(=O)C5=CC(=C(C(=C5C6=C(C3=C(C(=C6O)O)O)C(=O)O4)O)O)O)C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
TCMBANKIN037872 |
rugosin C |
rugosin c |
C48H32O31 |
1104.75 |
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC5=C(C6=C(C(=C(C=C6C(=O)O3)O)O)O)C(=C(C(=C5)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O)O)O)O)O |
TCMBANKIN040074 |
Glansrin B |
glansrin b |
|
906.65 |
|
TCMBANKIN040842 |
glansrin C |
glansrin c |
C41H26O26 |
934.6 g/mol |
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C4C(=C(C=C3C(=O)O1)O)OC5=C(C(=C(C=C5C(=O)O4)O)O)O)O)O)O)C6C7C(C8=C(C(=C(C(=C8C(=O)O7)C9=C(C(=C(C=C9C(=O)O6)O)O)O)O)O)O)O)O |
TCMBANKIN040863 |
tellimagrandin I |
tellimagrandinI; tellimagrandin i; cornus-tannin 3; tellimagrandin i ; AC1Q59JF |
C12H14ClNO4 |
271.7 |
C1C2C(C(C(C(O2)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
TCMBANKIN041246 |
strictinin |
strictinin |
C27H22O18 |
634.453 |
c1(O[H])c(O[H])c([H])c(C(=O)OC([H])([H])[C@@]([H])(O[C@@]([H])(OC(=O)c2c([H])c(O[H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]3([H])OC(=O)c(c([H])c(O[H])c(O[H])c4O[H])c45)c5c1O[H] |
TCMBANKIN042536 |
glansrin A |
glansrin a |
|
1104.79 |
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O |
TCMBANKIN043888 |
pedunculagin |
beta-Pedunculagin; 118014-30-5; VA85X55GDI; beta-D-Glucopyranose, cyclic 2,3:4,6-bis((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate); 4-O,6-O-[(4,4',5,5',6,6'-Hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-2-O,3-O-[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-beta-D-glucopyranose; UNII-VA85X55GDI |
C34H24O22 |
785 |
c1(O[H])c([H])c(C(OC([H])([H])[C@@]([H])(O[C@@]([H])(O[H])[C@]([H])(OC(=O)c2c(c3c(C(=O)O4)c([H])c(O[H])c(O[H])c3O[H])c(O[H])c(O[H])c(O[H])c2[H])[C@@]45[H])[C@@]5([H])OC(=O)c(c([H])c(O[H])c(O[H])c6O[H]
)c67)=O)c7c(O[H])c1O[H] |
TCMBANKIN046762 |
jujubasaponin IV |
jujubasaponin iv |
C48H78O18 |
943.12 |
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C5CCC6C7C(C(OC78CC6(C5(CCC4C3(C)C)C)CO8)CC=C(C)C)(C)O)C)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O |
TCMBANKIN047448 |
stachyuranin b |
|
C49H38O28 |
1074.8 g/mol |
C1C(C(OC2=C1C(=C(C(=C2)O)OCC3C(OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O |
TCMBANKIN048087 |
alpha-Hydrojuglone glucoside |
α-hydrojuglone glucoside |
C16H18O8 |
338.309 |
c1([H])c([H])c(c(O[H])c([H])c([H])c2O[C@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O3)c2c(O[H])c1[H] |
TCMBANKIN049175 |
casuarinin |
SCHEMBL868365; Casuarinin; casuarinin ; CHEMBL507387; BDBM50250998 |
C41H28O26 |
936.65 |
C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)C4C5C(C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O |
TCMBANKIN049356 |
eugeniin |
Eugeniin; C10224; eugeniin ; MEGxp0_001162; ACon1_001321; 58970-75-5; Tellimagrandin II |
C41H30O26 |
939 |
c1([H])c(C(O[C@]2([H])[C@@]([H])(OC(c3c([H])c(O[H])c(O[H])c(O[H])c3[H])=O)[C@]([H])(OC(=O)c(c([H])c4O[H])c([H])c(O[H])c4O[H])O[C@]([H])(C([H])([H])OC(=O)c(c([H])c(O[H])c(O[H])c5O[H])c5c(c(O[H])c(O[H])
c(O[H])c6[H])c6C(=O)O7)[C@]27[H])=O)c([H])c(O[H])c(O[H])c1O[H] |
TCMBANKIN057966 |
CIR |
C00327; EINECS 206-759-6; (2S)-2-amino-5-(carbamoylamino)pentanoic acid; (2S)-2-amino-5-ureidopentanoic acid; C7629_SIGMA; (2S)-2-amino-5-ureido-pentanoic acid; Citrulline, L-; alpha-Amino-delta-ureidovaleric acid; NSC 27425; (2S)-2-amino-5-(aminocarbonylamino)pentanoic acid; Ornithine, N5-(aminocarbonyl)-; N5-(Aminocarbonyl)ornithine; Ornithine, N5-carbamoyl-, L- (8CI); N(5)-(aminocarbonyl)-L-ornithine; SBB012374; N(delta)-Carbamylornithine; N(5)-carbamoyl-L-ornithine; (2S)-2-amino-5-ureido-valeric acid; (S)-2-Amino-5-ureidopentanoic acid; SMP1_000146; 2-Amino-5-ureidovaleric acid; NCGC00142602-01; L-2-Amino-5-ureidovaleric acid; delta-Ureidonorvaline; CHEBI:16349; citrulline; AB1007188; AC1LCUKE; d-citrullin; AK-58500; (R)-2-Amino-5-ureidopentanoic acid; MFCD00216469; KB-49607; D-Citruline; AX8031821; D-Ornithine,N5-(aminocarbonyl)-; W-204205; H-D-Orn(carbamoyl)-OH; (2R)-5-(aminocarbonylamino)-2-azanyl-pentanoic acid; DTXSID90348463; MolPort-003-928-964; 594C519; H-D-Cit-OH; D-Citrulline, >=99.0%; CTK4C0068; N(5)-carbamoyl-D-ornithine; AmbotzHAA1014; AJ-33795; AB0012765; ST24035348; ACM13594520; D-Citrulline; A807006; PubChem17499; TC-108738; J-300336; CHEBI:49007; SC-10122; C6H13N3O3; SCHEMBL437142; ANW-19993; AM82460; AS-12983; GTPL4683; ZINC2166829; FT-0659369; 13594-51-9; B-7191; D0V2DT; (2R)-2-amino-5-(carbamoylamino)pentanoic acid |
C6H13N3O3 |
175.19 g/mol |
C(CC(C(=O)O)N)CNC(=O)N |
TCMBANKIN058100 |
2,3-o-(s)-hexahydroxydiphenoyl-d-gluco-pyranose |
2,3-hexahydroxydiphenyl-D-glucose |
C20H18O14 |
482.3 g/mol |
C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)OC4C(C(C(OC4O)CO)O)OC2=O)O)O)O |
TCMBANKIN058408 |
naphthalene1 |
1,4-naphthoquinone |
C10H6O2 |
158.15 g/mol |
C1=CC=C2C(=O)C=CC(=O)C2=C1 |
TCMBANKIN058450 |
ADO |
nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside |
C10H13N5O4 |
267.24 g/mol |
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
TCMBANKIN058562 |
Casuarictin |
AIDS-001510; 1(beta)-O-Galloylpedunculagin; C10212; .beta.-D-Glucopyranose, cyclic 2,3:4,6-bis[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-(3,4,5-trihydroxybenzoate); casuarictin; Sanguiin h 11; 79786-00-8; AC1Q78IK; beta-D-Glucopyranose, cyclic 2,3:4,6-bis(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(3,4,5-trihydroxybenzoate), (2(S),4(S))-; 1(.beta.)-O-Galloylpedunculagin; AIDS001510; 1(beta)-o-galloylpedunculagin |
C41H28O26 |
936.65 g/mol |
C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O |
TCMBANKIN058706 |
betulin |
AKOS025402304; Ambotz473-98-3; betulin ; AC-7983; SCHEMBL9888462; (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol; FVWJYYTZTCVBKE-MAIYTPNSSA-N; ; Trochol; 18211-63-7; C08618; Messagenin; 473-98-3; AIDS002710; B9757_SIGMA; ZINC03978650; Prestwick3_000990; Betulin; MEGxp0_001726; AI3-62999; BSPBio_001059; Lup-20(30)-ene-3beta,28-diol; C08631; Betulinol; ACon1_000091; AIDS-002710; Lup-20(29)-ene-3beta,28-diol; BPBio1_001165; Betuline; Lup-20(29)-ene-3,28-diol, (3beta)-; NSC 4644; (3.beta.)-Lup-20(29)-ene-3,28-diol; NSC692218; EINECS 207-475-5; Betulinic alcohol; ST5411404; Trochol |
C30H50O2 |
442.7g/mol |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO |
TCMBANKIN061374 |
n'-methyl nicotineamide |
n'-methylnicotineamide |
C7H8N2O |
|
CNC(=O)C1=CN=CC=C1 |