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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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Ethyl 4-Methoxy-1-methyl-2-oxo-1，2，5，6-tetrahydropyridine-3-carboxylateCas Number: 851726-49-3 Compound CID: 58857936Formula: C10H15NO4 Molecular Weight: 213.23IUPAC Name: ethyl 4-methoxy-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylateSMILES: CCOC(=O)C1=C(CCN(C1=O)C)OCInChIKey: SUXRQZKWFUREDJ-UHFFFAOYSA-NInChI: InChI=1S/C10H15NO4/c1-4-15-10(13)8-7(14-3)5-6-11(2)9(8)12/h4-6H2,1-3H3 -
Canthin-6-oneCas Number: 479-43-6 Compound CID: 97176Formula: C14H8N2O Molecular Weight: 220.23IUPAC Name: 1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-oneSMILES: C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3InChIKey: ZERVJPYNQLONEK-UHFFFAOYSA-NInChI: InChI=1S/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8HSynonyms: 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one
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8-Methyl-8-azabicyclo[3.2.1]octan-3-amineCas Number: 98998-25-5Formula: C8H16N2 Molecular Weight: 140.23IUPAC Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-amineSMILES: CN1C2CCC1CC(C2)NInChIKey: HJGMRAKQWLKWMH-UHFFFAOYSA-NInChI: InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3
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4-(2-Piperidyl)-1-butanolCas Number: 90726-50-4 Compound CID: 69524314IUPAC Name: 4-piperidin-2-ylbutan-1-olSMILES: C1CCNC(C1)CCCCOInChIKey: LYNLSABRWGOHRC-UHFFFAOYSA-NInChI: InChI=1S/C9H19NO/c11-8-4-2-6-9-5-1-3-7-10-9/h9-11H,1-8H2
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2，3，4，9-Tetrahydro-1H-pyrido[3，4-b]indole-1，3-dicarboxylic acidCas Number: 59132-30-8 Compound CID: 151564Formula: C13H12N2O4 Molecular Weight: 260.24IUPAC Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1,3-dicarboxylic acidSMILES: C1C(NC(C2=C1C3=CC=CC=C3N2)C(=O)O)C(=O)OInChIKey: ZWMZDKZTZLGVRQ-UHFFFAOYSA-NInChI: InChI=1S/C13H12N2O4/c16-12(17)9-5-7-6-3-1-2-4-8(6)14-10(7)11(15-9)13(18)19/h1-4,9,11,14-15H,5H2,(H,16,17)(H,18,19)
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2，3，4，9-tetrahydro-1H-pyrido[3，4-b]indole-1-carboxylic acidCas Number: 102991-38-8 Compound CID: 145879Formula: C12H12N2O2 Molecular Weight: 216.24IUPAC Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acidSMILES: C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)OInChIKey: XGCIVVYTCDKDLC-UHFFFAOYSA-NInChI: InChI=1S/C12H12N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-4,11,13-14H,5-6H2,(H,15,16)
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2-PropylpiperidineCas Number: 3238-60-6 Compound CID: 9985Formula: C8H17N Molecular Weight: 127.23IUPAC Name: 2-propylpiperidineSMILES: CCCC1CCCCN1InChIKey: NDNUANOUGZGEPO-UHFFFAOYSA-NInChI: InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3
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2-Propylpiperidine hydrochlorideCas Number: 15991-59-0 Compound CID: 11156Formula: C8H18ClN Molecular Weight: 163.69IUPAC Name: 2-propylpiperidine;hydrochlorideSMILES: CCCC1CCCCN1.ClInChIKey: JXBWZNQZRWZJIR-UHFFFAOYSA-NInChI: InChI=1S/C8H17N.ClH/c1-2-5-8-6-3-4-7-9-8;/h8-9H,2-7H2,1H3;1H
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1-methyl-2，3，4，9-tetrahydro-1H-beta-carbolineCas Number: 2506-10-7 Compound CID: 91522Formula: C12H14N2 Molecular Weight: 186.25IUPAC Name: 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indoleSMILES: CC1C2=C(CCN1)C3=CC=CC=C3N2InChIKey: LPIJOZBIVDCQTE-UHFFFAOYSA-NInChI: InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3
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1-Benzylpyridin-1-ium-3-carboxylateCas Number: 15990-43-9 Compound CID: 85230Formula: C13H11NO2 Molecular Weight: 213.23IUPAC Name: 1-benzylpyridin-1-ium-3-carboxylateSMILES: C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)[O-]InChIKey: AVWFAACIXBQMBF-UHFFFAOYSA-NInChI: InChI=1S/C13H11NO2/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-8,10H,9H2
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tert-butyl (1S,5R)-2-oxo-8-azabicyclo[3.2.1]octane-8-carboxylateCas Number: 208038-02-2 Compound CID: 10489379Formula: C12H19NO3 Molecular Weight: 225.28SMILES: CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C(=O)CC2InChIKey: SJGXXUBCKFNNGB-BDAKNGLRSA-NInChI: InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-8-4-6-9(13)10(14)7-5-8/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
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1-tert-butyl 3-ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridine-1,3(2H)-dicarboxylateCas Number: 1194488-90-8 Compound CID: 49761091Formula: C19H32BNO6 Molecular Weight: 381.28IUPAC Name: 1-O-tert-butyl 5-O-ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylateSMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(CN(CC2)C(=O)OC(C)(C)C)C(=O)OCCInChIKey: VOAVTORWJQDFET-UHFFFAOYSA-NInChI: InChI=1S/C19H32BNO6/c1-9-24-15(22)13-12-21(16(23)25-17(2,3)4)11-10-14(13)20-26-18(5,6)19(7,8)27-20/h9-12H2,1-8H3
