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Ebenifoline E-III

AlkaPlorer ID: AK109431

Synonym: ''

IUPAC Name: [(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,22,24-triacetyloxy-20-(acetyloxymethyl)-19-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-21-yl] benzoate

Structure

SMILES: CC(=O)OC[C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1C(C)C(C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)C1=CC=CC=C1)[C@]4(C)O

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InChI: InChI=1S/C48H51NO18/c1-24-25(2)41(54)64-38-36(62-28(5)52)40(66-43(56)31-18-13-10-14-19-31)47(23-59-26(3)50)39(65-42(55)30-16-11-9-12-17-30)35(61-27(4)51)33-37(63-29(6)53)48(47,46(38,8)58)67-45(33,7)22-60-44(57)32-20-15-21-49-34(24)32/h9-21,24-25,33,35-40,58H,22-23H2,1-8H3/t24?,25?,33-,35-,36+,37-,38+,39-,40+,45+,46+,47-,48+/m1/s1

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InChIKey: CLGCPUMGHCEASW-ORWJBWFWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Monteverdia ebenifolia Monteverdia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 929.9250000000004

TPSA？: 252.75

MolLogP？: 3.621300000000003

Number of H-Donors: 1

Number of H-Acceptors: 19

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens PBMC Activity 7.8 pg/ml 10.1021/np040006s
Homo sapiens PBMC Activity nan None 10.1021/np040006s

Metabolism Information