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Elliptifoline

AlkaPlorer ID: AK031734

Synonym: None

IUPAC Name: (E)-N-[(2S)-1-[(1R,9R,10S,11R,12S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbut-2-enamide

Structure

SMILES: C/C=C(\C)C(O)=N[C@@H]1CCCN1C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)[C@]2(C3=CC=C(OC)C=C3)OC3=CC(OC)=CC(OC)=C3[C@@]1(O)[C@@H]2O

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InChI: InChI=1S/C36H40N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h6-9,11-12,14-17,19-20,28-29,31,34,41-42H,10,13,18H2,1-5H3,(H,37,39)/b21-6+/t28-,29+,31-,34-,35-,36-/m0/s1

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InChIKey: VRXIZYQZACJUDE-AOHDHECJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aglaia elliptifolia Aglaia Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 628.7220000000003

TPSA？: 130.28000000000003

MolLogP？: 4.833600000000006

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 ED50 18.9 ug ml-1 10.1021/np000341q
Homo sapiens HL-60 ED50 50.0 ug ml-1 10.1021/np000341q
Homo sapiens HT-29 ED50 50.0 ug ml-1 10.1021/np000341q
Homo sapiens KB ED50 50.0 ug ml-1 10.1021/np000341q
Mus musculus P388 ED50 3.41 ug ml-1 10.1021/np000341q

Metabolism Information