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Epicorazine A

AlkaPlorer ID: AK005696

Synonym: None

IUPAC Name: (1R,4S,5S,9S,11R,14S,15S,19S)-5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12,18-tetrone

Structure

SMILES: O=C1C=C[C@H](O)[C@@H]2[C@@H]1C[C@@]13SS[C@]4(C[C@@H]5C(=O)C=C[C@H](O)[C@H]5N4C1=O)C(=O)N23

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InChI: InChI=1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2/t7-,8-,11+,12+,13+,14+,17-,18-/m1/s1

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InChIKey: RCODXLGTKJXDNC-UORGKRBOSA-N

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Reference

PubChem CID: 57383998

SuperNatural Ⅲ: SN0321713-06

NPASS: NPC247902

Source

Species Genus Family Order Class Phylum Kingdom Domain
Pachysandra procumbens Pachysandra Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Azolla filiculoides Azolla Salviniaceae Salviniales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Cyclamen repandum Cyclamen Primulaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Burasaia madagascariensis Burasaia Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Aspergillus brunneus Aspergillus Aspergillaceae Eurotiales Eurotiomycetes Ascomycota Fungi Eukaryota
Cussonia arborea Cussonia Araliaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Helicobasidium mompa Helicobasidium Helicobasidiaceae Helicobasidiales Pucciniomycetes Basidiomycota Fungi Eukaryota
Phoma sp. OUCMDZ-1847 Phoma Didymellaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota
Andryala pinnatifida Andryala Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hypoxylon fragiforme Hypoxylon Hypoxylaceae Xylariales Sordariomycetes Ascomycota Fungi Eukaryota
Hericium erinaceus Hericium Hericiaceae Russulales Agaricomycetes Basidiomycota Fungi Eukaryota
Plantago subulata Plantago Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ormosia sumatrana Ormosia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stereum hirsutum Stereum Stereaceae Russulales Agaricomycetes Basidiomycota Fungi Eukaryota
Capnodium sp. Capnodium Capnodiaceae Capnodiales Dothideomycetes Ascomycota Fungi Eukaryota
Thymus marschallianus Thymus Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 420.4680000000001

TPSA？: 115.21999999999998

MolLogP？: -0.7786000000000002

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterococcus faecalis Enterococcus faecalis Inhibition nan % 10.1021/np200857y
Escherichia coli Escherichia coli Inhibition nan % 10.1021/np200857y
Haemophilus influenzae Haemophilus influenzae MIC 0.5 ug.mL-1 10.1021/np200857y
Homo sapiens A549 IC50 2300.0 nM 10.1021/np400802d
Homo sapiens HCT-116 IC50 330.0 nM 10.1021/np400802d
Homo sapiens HL-60 IC50 50.0 nM 10.1021/np400802d
Homo sapiens K562 IC50 1500.0 nM 10.1021/np400802d
Homo sapiens MGC-803 IC50 2700.0 nM 10.1021/np400802d
Staphylococcus aureus Staphylococcus aureus Inhibition nan % 10.1021/np200857y
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1021/np200857y
Staphylococcus aureus Staphylococcus aureus Ratio 8.0 None 10.1021/np200857y
Streptococcus pneumoniae Streptococcus pneumoniae Inhibition nan % 10.1021/np200857y

Metabolism Information