Molecule

Aglaiastatin

AlkaPlorer ID: AK080925

Synonym: None

IUPAC Name: (2S,10R,11R,18S)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6-tetraen-13-one

Structure

SMILES: COC1=CC=C([C@@]23OC4=CC(OC)=CC(OC)=C4[C@]2(O)C2=C(C(=O)N4CCC[C@H]4N2)[C@H]3C2=CC=CC=C2)C=C1

InChI: InChI=1S/C31H30N2O6/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25-28(32-24-10-7-15-33(24)29(25)34)30(31,35)27-22(38-3)16-21(37-2)17-23(27)39-31/h4-6,8-9,11-14,16-17,24,26,32,35H,7,10,15H2,1-3H3/t24-,26+,30-,31-/m0/s1

InChIKey: HSVMIKSELPDICN-OTEJJTPWSA-N

Reference

Cyclopentabenzofuran Lignan Protein Synthesis Inhibitors from <i>Aglaia odorata</i>

PubChem CID: 9871534

LOTUS: LTS0227290

SuperNatural Ⅲ: SN0134529-01

NPASS: NPC197125

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alternaria japonica	Alternaria	Pleosporaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Cotula coronopifolia	Cotula	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penicillium nordicum	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Penicillium lapatayae	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Dioscorea dumetorum	Dioscorea	Dioscoreaceae	Dioscoreales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aglaia odorata	Aglaia	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 526.5890000000003

TPSA？: 89.49

MolLogP？: 3.791100000000003

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	NIH3T3	IC50	0.001	ug.mL-1	10.1021/np960346g
Mus musculus	NIH3T3	IC50	0.0018	ug.mL-1	10.1021/np960346g
Mus musculus	NIH3T3	IC50	0.0056	ug.mL-1	10.1021/np960346g
Rattus norvegicus	NRK	Activity	nan	None	10.1021/np960346g
Rattus norvegicus	NRK	IC50	0.0021	ug.mL-1	10.1021/np960346g
Rattus norvegicus	NRK	IC50	0.0028	ug.mL-1	10.1021/np960346g
None	ADMET	IC50	0.0041	ug.mL-1	10.1021/np960346g