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Not named

AlkaPlorer ID: AK113592

Synonym: 'JBIR-03'

IUPAC Name: (1S,2S,5S,7R,9S,10R,13S)-1,2,9-trimethyl-7-(2-methylprop-1-enyl)-6-oxa-22-azahexacyclo[11.10.0.02,10.05,9.015,23.016,21]tricosa-15(23),16,18,20-tetraene

Structure

SMILES: CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2CC4=C(NC5=CC=CC=C45)[C@@]23C)O1

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InChI: InChI=1S/C28H37NO/c1-17(2)14-19-16-26(3)23-11-10-18-15-21-20-8-6-7-9-22(20)29-25(21)28(18,5)27(23,4)13-12-24(26)30-19/h6-9,14,18-19,23-24,29H,10-13,15-16H2,1-5H3/t18-,19-,23-,24-,26-,27-,28+/m0/s1

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InChIKey: WQLADPPAYVUSAB-VSUSBFIXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aspergillus oryzae Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 403.61000000000007

TPSA？: 25.02

MolLogP？: 6.938000000000008

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Artemia salina Artemia salina Activity 74.2 % 10.1016/j.bmcl.2010.08.024
Colletotrichum lagenaria Colletotrichum lagenaria Activity nan None 10.1016/j.bmcl.2010.08.024
Escherichia coli Escherichia coli DIZ nan None 10.1016/j.bmcl.2010.08.024
Fusarium oxysporum Fusarium oxysporum Activity nan None 10.1016/j.bmcl.2010.08.024
Homo sapiens Acetylcholinesterase Inhibition -7.6 % 10.1016/j.bmcl.2010.08.024
Homo sapiens Cannabinoid CB1 receptor Ki 4400.0 nM 10.1021/np400850g
Homo sapiens Cannabinoid CB2 receptor Ki 4760.0 nM 10.1021/np400850g
Homo sapiens G-protein coupled receptor 55 IC50 10000.0 nM 10.1021/np400850g
Homo sapiens G-protein coupled receptor 55 Inhibition 0.0 % 10.1021/np400850g
Homo sapiens N-arachidonyl glycine receptor IC50 9910.0 nM 10.1021/np400850g
Zika virus Zika virus EC50 4200.0 nM 10.1021/acs.jnatprod.0c00717

Metabolism Information