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name Structure Reference Source Properties Activities Metabolism

Emindole SB beta-mannoside

AlkaPlorer ID: AK066526

Synonym: None

IUPAC Name: (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[[(1S,12S,15R,16S,17S,20S)-1,16,20-trimethyl-16-(4-methylpent-3-enyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-yl]oxy]oxane-3,4,5-triol

Structure

SMILES: CC(C)=CCC[C@]1(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@H]1CC3=C(NC4=CC=CC=C34)[C@@]12C

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InChI: InChI=1S/C34H49NO6/c1-19(2)9-8-15-32(3)25-13-12-20-17-22-21-10-6-7-11-23(21)35-30(22)34(20,5)33(25,4)16-14-26(32)41-31-29(39)28(38)27(37)24(18-36)40-31/h6-7,9-11,20,24-29,31,35-39H,8,12-18H2,1-5H3/t20-,24+,25-,26-,27+,28-,29-,31-,32-,33-,34+/m0/s1

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InChIKey: RLMHLVYKLURACD-CHRYWTOVSA-N

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Source

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

Properties Information

Molecule Weight: 567.7670000000003

TPSA？: 115.17000000000002

MolLogP？: 4.745800000000004

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cannabinoid CB1 receptor Inhibition 30.0 % 10.1021/np400850g
Homo sapiens Cannabinoid CB1 receptor Ki 10600.0 nM 10.1021/np400850g
Homo sapiens Cannabinoid CB2 receptor Inhibition nan % 10.1021/np400850g
Homo sapiens Cannabinoid CB2 receptor Ki 10600.0 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 13.0 % 10.1021/np400850g
Homo sapiens N-arachidonyl glycine receptor IC50 10000.0 nM 10.1021/np400850g
Homo sapiens N-arachidonyl glycine receptor Inhibition 15.0 % 10.1021/np400850g
Rattus norvegicus L6 IC50 58000.0 nM 10.1021/np400850g
None No relevant target solubility nan None 10.1021/np400850g

Metabolism Information