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name Structure Reference Source Properties Activities Metabolism

(1S,12S,14R)-9-methoxy-4-(2-methylprop-2-en-1-yl)-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-ol

AlkaPlorer ID: AK165626

Synonym: None

IUPAC Name: (1S,12S,14R)-9-methoxy-4-(2-methylprop-2-enyl)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol

Structure

SMILES: C=C(C)CN1CC[C@@]23C=C[C@H](O)C[C@@H]2OC2=C3C(=CC=C2OC)C1

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InChI: InChI=1S/C20H25NO3/c1-13(2)11-21-9-8-20-7-6-15(22)10-17(20)24-19-16(23-3)5-4-14(12-21)18(19)20/h4-7,15,17,22H,1,8-12H2,2-3H3/t15-,17-,20-/m0/s1

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InChIKey: FEKQBPRIVQKBRM-KNBMTAEXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Leucojum aestivum Leucojum Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 327.4240000000001

TPSA？: 41.93000000000001

MolLogP？: 2.7966000000000006

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Electrophorus electricus Acetylcholinesterase IC50 160.0 nM 10.1016/j.bmcl.2008.03.008
Torpedo californica Acetylcholinesterase IC50 1100.0 nM 10.1016/j.bmc.2015.07.058

Metabolism Information