TCMBANKIN000167 |
deoxyandrographiside |
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|
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CC1=CC(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O |
TCMBANKIN001678 |
N-[(2R,3S)-7-(2-acetamidoethyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]acetamide |
N-[(2R,3S)-7-(2-acetamidoethyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamide |
|
386.44 |
|
TCMBANKIN011381 |
inokosterone |
Callinecdysone A; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R,5R)-1,2,6-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; C16992; 15130-85-5; Inokosterone; i-nokosterone; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6R)-2,3,7-trihydroxy-6-methyl-heptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R,5R)-1,2,6-trihydroxy-1,5-dimethylhexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; 23261-09-8; DTXSID30436277; C08819 |
C27H44O7 |
480.6 g/mol |
CC(CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)CO |
TCMBANKIN011512 |
N-[(2S,3R)-7-(2-acetamidoethyl)-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]acetamide |
N-[(2S,3R)-7-(2-acetamidoethyl)-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]ethanamide |
|
386.44 |
|
TCMBANKIN017871 |
N-[(E)-2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]vinyl]acetamide |
N-[(E)-2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethenyl]ethanamide; N-[(E)-2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethenyl]acetamide |
|
384.42 |
|
TCMBANKIN022559 |
14-deoxy-11-oxa-andrographolide |
|
|
|
CC12CCC(C(C1CCC(=C)C2C(=O)CC3=CCOC3=O)(C)CO)O |
TCMBANKIN029381 |
19-glucosyl-deoxyandrographolide |
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|
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|
TCMBANKIN029446 |
N-Acetyldopamine |
N-[2-(3,4-dihydroxyphenyl)ethyl]ethanamide; Acetamide, N-(3,4-dihydroxyphenethyl)-; Acetamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-; Lopac-A-8762; Lopac0_000093; NSC 314644; EU-0100093; NSC314644; Acetamide, N-(3,4-dihydroxyphenethyl)- (7CI,8CI); Acetamide, N-(2-(3,4-dihydroxyphenyl)ethyl)-; NCGC00015101-01; 2494-12-4; N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide; BRN 2806306 |
C10H13NO3 |
195.21 g/mol |
CC(=O)NCCC1=CC(=C(C=C1)O)O |
TCMBANKIN029806 |
14-deoxy-11 |
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|
|
|
TCMBANKIN032939 |
Cycasin |
WLN: T6OTJ BO1NUNO&1 CQ DQ EQ F1Q GLUCO; methylazoxymethanol beta-D-glucoside; NSC15190; Methylazoxymethanol glucoside; Cycas revoluta glucoside; 14901-08-7; NSC-15190; Methylazoxymethanol.beta.-D-glucoside; .beta.-D-glucosyloxyazoxymethane; .beta.-D-Glucopyranoside, (methyl-ONN-azoxy)methyl; [(Methyl-ONN-azoxy)methyl]-.beta.-D-glucopyranoside; Methylazoxymethanol .beta.-D-glucoside; cycasin; CYCASIN; .beta.-D-Glucopyranoside, [(methyl-ONN-azoxy)methyl]- |
C8H16N2O7 |
252.22 |
C[N+](=NCOC1C(C(C(C(O1)CO)O)O)O)[O-] |
TCMBANKIN033723 |
Deoxyandrographolide |
4-[2-[(4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one; BG01310040; AC-20219; DTXSID60616868; 79233-15-1; ANDROGRAPHOLIDE, DEOXY-; deoxyandrographolide; ZINC21992845; 9342AF; MolPort-005-938-522; AKOS015965180; 3-{2-[(4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl}furan-2(5H)-one; 3-{2-[(4AS,5R,6R,8AR)-6-HYDROXY-5-(HYDROXYMETHYL)-2,5,8A-TRIMETHYL-3,4,4A,6,7,8-HEXAHYDRONAPHTHALEN-1-YL]ETHYL}-5H-FURAN-2-ONE; AN-36619; CS-3655; AK546859; HY-N0857; 14-deoxyandrographolide(14-DAP) |
C20H30O4 |
334.45 |
CC1=C(C2(CCC(C(C2CC1)(C)CO)O)C)CCC3=CCOC3=O |
TCMBANKIN036840 |
protocatechuic acid |
3,4-Dihydroxybenzoic acid; MLS000737807; c0120; 4-Carboxy-1,2-dihydroxybenzene; InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11; NSC 16631; ZB000710; Benzoic acid, 3,4-dihydroxy-; 4,5-dihydroxybenzoate; 3,4-dihydrobenzoic acid; DHB; DB03946; AC1N59J2; CCRIS 6291; AIDS082396; Protocatehuic acid; BRN 1448841; protocatechuicacid; 3,4-dihydroxybenzoate; SMR000528167; D-3487; EINECS 202-760-0; 4,5-Dihydroxybenzoic acid; C00230; Catechol-4-carboxylic Acid; 3,4-DHBA; Protocatechuic acid polymer; CHEBI:36241; 2buv; 4-10-00-01459 (Beilstein Handbook Reference); AIDS-082396; 99-50-3; A846038; AIDS002961; Oxidative polymer of protocatechuic acid; 37580_FLUKA; AIDS-002961; 1ykp; Benzoic acid, 3,4-dihydroxy- (9CI); NSC16631; 3,4-bis(oxidanyl)benzoate; CHEBI:36062; 3, 4-Dihydroxybenzoic acid; TULIP017459 |
C18H14O8 |
358.299 |
c12c(O[C@]([H])(c3c([H])c([H])c(O[H])c(O[H])c3[H])[C@@]1([H])C(=O)O[H])c(O[H])c([H])c([H])c2\C([H])=C([H])\C(O[H])=O |
TCMBANKIN037143 |
ecdysterone |
2beta,3beta,14alpha,20beta,22,25-Hexahydroxy-7-cholesten-6-one; ZINC04165898; ST5412041; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; AIDS-013374; AIDS013374; CHEMBL1707235; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethylhexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; HMS2225F24; SMR001397251; beta-Ecdysone; (2Beta,3beta,5beta)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one; H5142_SIGMA; 20-Hydroxyecdysone; SCHEMBL19213295; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methyl-heptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; 20-OH ecdysone; Ecdysterone; Insect moulting hormone; 20E; 2,3,14-Trihydroxy-10,13-dimethyl-17-(1,2,5-trihydroxy-1,5-dimethyl-hexyl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one; MLS002473159; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one; (22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one; 5289-74-7; CHEBI:16587 |
C27H44O7 |
481 |
[C@@]1([H])(O[H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@](C([H])([H])[H])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H]
)C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]23O[H])C3=C([H])C4=O)[C@@]4([H])C([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 |
TCMBANKIN058124 |
protocatechualdehyde |
UNII-4PVP2HCH4T; CP0106; RP20407; AIDS108195; ACMC-1BU4F; AB1003652; 4-Formyl-1,2-dihydroxybenzene; PS-5533; 39D855; KSC174Q9D; AKOS000119507; F2190-0614; KB-28320; 3,4-Dihydroxybenzaldehyde, homopolymer; MCULE-8201140117; D0566; ACMC-20mvlo; 3,4-Dihydroxybenzaldehyde, 97%; 3,4 dihydroxybenzaldehyde; I01-0489; AZ0001-0159; MFCD00003370; MolPort-000-672-422; 37520_FLUKA; AC1Q78G5; MLS001148401; 2-HYDROXY-4-(HYDROXYMETHYLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE; AC1Q6Q41; TR-032901; AJ-08356; ST5202222; 1,2-Dihydroxy-4-formylbenzene; 3,4-dihydroxybenzaldehyde; LS-125886; BB_NC-2317; 3, 4-Dihydroxybenzaldehyde; Opera_ID_356; 3,4-dihydroxy benzaldehyde; 4-Formylcatechol; CTK0B9895; Protocatechuic aldehyde; ANW-20526; 4-Formylbenzene-1,2-diol; 3,4-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 97%; M-6274; CJ-00132; ACon1_001620; 3,4-Dihydroxybenzyl aldehyde; ST50202222; STL146017; D108405_ALDRICH; Benzaldehyde, 3,4-dihydroxy-; A15221; 419370_ALDRICH; catechaldehyde; AC1L1RNP; Benzaldehyde, 3,4-dihydroxy- (9CI); NCGC00180319-01; AB0008392; protocatechuic aldehyde; ST2417247; MEGxm0_000158; BP-11465; PROTOCATECHUIC ALDEHYDE; BR-39223; AIDS-108195; Protocatechualdehyde; 4PVP2HCH4T; 4CN-0731; AR-360/40191185; EINECS 205-377-7; AIDS-022744; Rancinamycin IV; 3,4-DHBAOP; CHEMBL222021; 3,4-Dihydroxybenzaldehyde, purum, >=97.0% (HPLC); ZINC13245; protocatec-hualdehyde; ACN-S002767; SMR000059038; SC-01003; Nc 033; 4,5-Dihydroxybenzaldehyde; ZINC00013245; BBL010377; IBGBGRVKPALMCQ-UHFFFAOYSA-N; PubChem8231; NSC22961; SCHEMBL36350; 3,4-Dihydroxybenzaldehyde, analytical standard; SBB040269; AIDS022744; DB11268; FT-0614322; 139-85-5; N2276; InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10; HMS2236H03; LS10200; 134998-43-9; 3,4-dihydroxy-benzaldehyde; D-3480; KS-000002OG; 2,5-Cyclohexadien-1-one, 2-hydroxy-4-(hydroxymethylene)-; CM13991; 4-Formyl-1,2-benzenediol; 3,4-Dihydroxybenzaldehyde; AN-43839; 3,4-Dihydroxybenzenecarbonal; BG01497764; EBD970769; TRA0091487; RTR-032901; 4-(Hydroxymethylene)-2-hydroxy-2,5-cyclohexadien-1-one; NSC-22961; DTXSID4074512; CHEBI:50205; AC-10830; MLS000069606; AM20020464; CS-W009195; CTK0H4891; AK-39223; NSC 22961; HMS3370F03; ZB000709 |
C7H6O3 |
138.12 |
C1=CC(=C(C=C1C=O)O)O |
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 |
TCMBANKIN059660 |
Neoandrograph |
|
C26H40O8 |
480.6 g/mol |
CC1(CCCC2(C1CCC(=C)C2CCC3=CCOC3=O)C)COC4C(C(C(C(O4)CO)O)O)O |
TCMBANKIN060079 |
14-deoxy-11-oxoandrographolide |
|
C20H28O5 |
348.4 g/mol |
CC12CCC(C(C1CCC(=C)C2C(=O)CC3=CC(=O)OC3)(C)CO)O |
TCMBANKIN060080 |
isoandrographolide;12-dideoxyhydro-andrographolide;andrographolide |
|
C20H30O5 |
350.45 |
CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O |
TCMBANKIN060081 |
ninandrographolide |
|
C26H40O9 |
496.6 g/mol |
CC12CCC(C(C1CCC(=C)C2CCC3=CCOC3=O)(C)COC4C(C(C(C(O4)CO)O)O)O)O |
TCMBANKIN060104 |
paristerone |
|
C27H44O7 |
480.6 g/mol |
CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O |