Navigation

name Structure Reference Source Properties Activities Metabolism

Arenastatin A

AlkaPlorer ID: AK017430

Synonym: None

IUPAC Name: (3S,10R,13E,16S)-10-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Structure

SMILES: COC1=CC=C(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3C3=CC=CC=C3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)C=C1

copy

InChI: InChI=1S/C34H42N2O8/c1-21(2)19-28-34(40)43-27(22(3)31-32(44-31)24-9-6-5-7-10-24)11-8-12-29(37)36-26(33(39)35-18-17-30(38)42-28)20-23-13-15-25(41-4)16-14-23/h5-10,12-16,21-22,26-28,31-32H,11,17-20H2,1-4H3,(H,35,39)(H,36,37)/b12-8+/t22-,26+,27-,28-,31+,32+/m0/s1

copy

InChIKey: GPUHMLPBKTYERL-DEIZWQRYSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Katsuwonus pelamis Katsuwonus Scombridae Scombriformes Actinopteri Chordata Metazoa Eukaryota
Cladrastis sikokiana Cladrastis Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Neurolaena lobata Neurolaena Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Peperomia clusiifolia Peperomia Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Grevillea robusta Grevillea Proteaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Smilax moranensis Smilax Smilacaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Eleutherococcus sieboldianus Eleutherococcus Araliaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Vaccinium arctostaphylos Vaccinium Ericaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
None Petrosia Petrosiidae Haplosclerida Demospongiae Porifera Metazoa Eukaryota
Streptomyces pilosus Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria
Eriobotrya deflexa Eriobotrya Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lasius meridionalis Lasius Formicidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota
Meyerozyma guilliermondii Meyerozyma Debaryomycetaceae Saccharomycetales Saccharomycetes Ascomycota Fungi Eukaryota
Ajuga nipponensis Ajuga Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nostoc sp. Nostoc Nostocaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria
Anneissia japonica Anneissia Comatulidae Comatulida Crinoidea Echinodermata Metazoa Eukaryota

Properties Information

Molecule Weight: 606.7160000000002

TPSA？: 132.56

MolLogP？: 3.834600000000002

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens CCRF-CEM ED50 183.0 pM 10.1021/jm030278c
Homo sapiens HCT-116 IC50 0.285 nM 10.1016/s0960-894x(02)01023-5
Homo sapiens KB ED50 5.0 pM 10.1021/jm030278c
Homo sapiens KB IC50 5e-06 ug.mL-1 10.1016/j.bmc.2021.116058
Homo sapiens KB IC50 5e-06 ug.mL-1 10.1016/j.bmcl.2004.02.080
Homo sapiens KB IC50 5e-06 ug.mL-1 10.1016/s0960-894x(02)01023-5
Homo sapiens KB IC50 0.0083 nM 10.1021/acs.jnatprod.5b00871
Homo sapiens MCF7 ED50 0.13 nM 10.1021/jm030278c
Homo sapiens MCF7 IC50 88.0 nM 10.1021/jm030555f
Homo sapiens MCF7 IC50 130.0 nM 10.1021/jm030555f
Homo sapiens MCF7S IC50 0.13 nM 10.1016/s0960-894x(02)01023-5
Homo sapiens NCI/ADR-RES ED50 0.25 nM 10.1021/jm030278c
Homo sapiens NCI/ADR-RES IC50 0.164 nM 10.1016/s0960-894x(02)01023-5
Homo sapiens NCI/ADR-RES IC50 250.0 nM 10.1021/jm030555f
Homo sapiens NCI/ADR-RES IC50 2400.0 nM 10.1021/jm030555f
Homo sapiens Tubulin IC50 15000.0 nM 10.1016/s0960-894x(02)01023-5
Sus scrofa Tubulin alpha chain ED50 15.8 uM 10.1021/jm030278c
None ADMET IC50 5e-06 ug.mL-1 10.1016/s0960-894x(00)00356-5
None Unchecked IC50 13700.0 nM 10.1021/jm030555f
None Unchecked IC50 15800.0 nM 10.1021/jm030555f
None Unchecked Resistance factor 1.9 None 10.1021/jm030555f
None Unchecked Resistance factor 27.3 None 10.1021/jm030555f

Metabolism Information