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Alkaloids and derivatives
Description:
Naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
Ancestors:
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PDI inhibitor 16F16Cas Number: 922507-80-0 Compound CID: 4555562Formula: C16H17ClN2O3 Molecular Weight: 320.77IUPAC Name: methyl 2-(2-chloroacetyl)-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylateSMILES: CC1(C2=C(CCN1C(=O)CCl)C3=CC=CC=C3N2)C(=O)OCInChIKey: BCSIRYFYAKLJDK-UHFFFAOYSA-NInChI: InChI=1S/C16H17ClN2O3/c1-16(15(21)22-2)14-11(7-8-19(16)13(20)9-17)10-5-3-4-6-12(10)18-14/h3-6,18H,7-9H2,1-2H3
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8-Azabicyclo[3.2.1]octane, 8-methyl-3-phenyl-Cas Number: 185099-63-2Formula: C14H19N Molecular Weight: 201.3074SMILES: CN1C2CCC1CC(C2)C3=CC=CC=C3InChIKey: VGZDEVKDDGMADS-UHFFFAOYSA-NInChI: InChI=1S/C14H19N/c1-15-13-7-8-14(15)10-12(9-13)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
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methyl 3-(2-piperidinyl)propanoate hydrochlorideCas Number: 1021204-94-3Formula: C9H18ClNO2 Molecular Weight: 207.6977SMILES: COC(=O)CCC1CCCCN1.ClInChIKey: KZOBDZOFSZULJN-UHFFFAOYSA-NInChI: InChI=1S/C9H17NO2.ClH/c1-12-9(11)6-5-8-4-2-3-7-10-8;/h8,10H,2-7H2,1H3;1H
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SauristolactamCas Number: 128533-02-8 Compound CID: 131002IUPAC Name: 14-hydroxy-15-methoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-oneSMILES: CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)O)C1=OInChIKey: WRFZNTLPRUIGKH-UHFFFAOYSA-NInChI: InChI=1S/C17H13NO3/c1-18-12-7-9-5-3-4-6-10(9)15-14(12)11(17(18)20)8-13(19)16(15)21-2/h3-8,19H,1-2H3
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RaubasineFormula: C21H24N2O3 Molecular Weight: 352.43IUPAC Name: methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylateSMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45InChIKey: GRTOGORTSDXSFK-XJTZBENFSA-NInChI: show more
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Dextrorphan tartrateFormula: C21H29NO7 Molecular Weight: 407.46IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid;(1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-olSMILES: CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)OInChIKey: RWTWIZDKEIWLKQ-XCPWPWHNSA-NInChI: show more
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yohimbic acidIUPAC Name: (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acidSMILES: C1CC(C(C2C1CN3CCC4=C(C3C2)NC5=CC=CC=C45)C(=O)O)OInChIKey: AADVZSXPNRLYLV-GKMXPDSGSA-NInChI: show more
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β-Carboline-1-propanoic acidCas Number: 89915-39-9 Compound CID: 5375436Formula: C14H12N2O2 Molecular Weight: 240.26IUPAC Name: 3-(9H-pyrido[3,4-b]indol-1-yl)propanoic acidSMILES: C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)CCC(=O)OInChIKey: CNUHEVWYPKFJHH-UHFFFAOYSA-NInChI: InChI=1S/C14H12N2O2/c17-13(18)6-5-12-14-10(7-8-15-12)9-3-1-2-4-11(9)16-14/h1-4,7-8,16H,5-6H2,(H,17,18)
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PalmatrubineCas Number: 16176-68-4Formula: C20H20NO4 Molecular Weight: 338.38IUPAC Name: 2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-9-olSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OInChIKey: QBUIDYLGKMWNEA-UHFFFAOYSA-OInChI: InChI=1S/C20H19NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,8-11H,6-7H2,1-3H3/p+1Synonyms: 9-Hydroxy-2,3,10-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-7-ium
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Methyl 1-Methyl-9H-Pyrido[3,4-b]Indole-3-CarboxylateCas Number: 16641-82-0 Compound CID: 5291723IUPAC Name: methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylateSMILES: CC1=C2C(=CC(=N1)C(=O)OC)C3=CC=CC=C3N2InChIKey: LIAUJQLOCLVMMH-UHFFFAOYSA-NInChI: InChI=1S/C14H12N2O2/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13/h3-7,16H,1-2H3
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6-EthoxydihydrosanguinarineCas Number: 28342-31-6 Compound CID: 5317235IUPAC Name: 23-ethoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaeneSMILES: CCOC1C2=C(C=CC3=C2OCO3)C4=C(N1C)C5=CC6=C(C=C5C=C4)OCO6InChIKey: FCEXWTOTHXCQCQ-UHFFFAOYSA-NInChI: InChI=1S/C22H19NO5/c1-3-24-22-19-13(6-7-16-21(19)28-11-25-16)14-5-4-12-8-17-18(27-10-26-17)9-15(12)20(14)23(22)2/h4-9,22H,3,10-11H2,1-2H3
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3-(Piperidin-2-yl)propanoic acid hydrochlorideCas Number: 99310-43-7 Compound CID: 42614381Formula: C8H16ClNO2 Molecular Weight: 193.67IUPAC Name: 3-piperidin-2-ylpropanoic acid;hydrochlorideSMILES: C1CCNC(C1)CCC(=O)O.ClInChIKey: ZAPBKKVFWAVUHL-UHFFFAOYSA-NInChI: InChI=1S/C8H15NO2.ClH/c10-8(11)5-4-7-3-1-2-6-9-7;/h7,9H,1-6H2,(H,10,11);1H
