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Epistephanine

AlkaPlorer ID: AK043622

Synonym: None

IUPAC Name: (1R)-6,20,21,25-tetramethoxy-30-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tridecaene

Structure

SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1=NCCC3=C1C(=C(OC)C(OC)=C3)OC1=C(OC)C=C3CCN(C)[C@H](C2)C3=C1

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InChI: InChI=1S/C37H38N2O6/c1-39-15-13-24-19-31(41-3)33-21-27(24)29(39)17-23-8-11-30(40-2)32(18-23)44-26-9-6-22(7-10-26)16-28-35-25(12-14-38-28)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,29H,12-17H2,1-5H3/t29-/m1/s1

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InChIKey: ZKHQJCUUEXSGCM-GDLZYMKVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Rhododendron capitatum Rhododendron Ericaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cocculus trilobus Cocculus Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dioscorea althaeoides Dioscorea Dioscoreaceae Dioscoreales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Glycyrrhiza inflata Glycyrrhiza Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dioscorea zingiberensis Dioscorea Dioscoreaceae Dioscoreales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pyrus x nivalis Pyrus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dacrycarpus vieillardii Dacrycarpus Podocarpaceae Araucariales Pinopsida Streptophyta Viridiplantae Eukaryota
Crossopteryx febrifuga Crossopteryx Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dioscorea collettii Dioscorea Dioscoreaceae Dioscoreales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rhodiola atuntsuensis Rhodiola Crassulaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stephania japonica Stephania Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Artemisia palustris Artemisia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Passiflora suberosa Passiflora Passifloraceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stephania hernandifolia Stephania Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dioscorea futschauensis Dioscorea Dioscoreaceae Dioscoreales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lepidium campestre Lepidium Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dioscorea nipponica Dioscorea Dioscoreaceae Dioscoreales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Chionographis japonica Chionographis Melanthiaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phragmites australis Phragmites Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 606.7190000000002

TPSA？: 70.98

MolLogP？: 6.978600000000008

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens U-937 Activity 99.0 % 10.1016/j.bmc.2012.06.017
Homo sapiens U-937 FC 0.9 None 10.1016/j.bmc.2012.06.017
Homo sapiens U-937 IC50 50000.0 nM 10.1016/j.bmc.2012.06.017
Homo sapiens U-937 MED 50.0 uM 10.1016/j.bmc.2012.06.017

Metabolism Information