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name Structure Reference Source Properties Activities Metabolism

(1R,9R,10S,11R,12R)-1-hydroxy-11-[(2S)-2-[(2R)-2-hydroxy-2-methylbutanamido]pyrrolidine-1-carbonyl]-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-12-yl acetate

AlkaPlorer ID: AK087260

Synonym: None

IUPAC Name: [(1R,9R,10S,11R,12R)-1-hydroxy-11-[(2S)-2-[[(2R)-2-hydroxy-2-methylbutanoyl]amino]pyrrolidine-1-carbonyl]-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl] acetate

Structure

SMILES: CC[C@@](C)(O)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]2OC(C)=O

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InChI: InChI=1S/C38H44N2O10/c1-7-36(3,44)35(43)39-29-14-11-19-40(29)33(42)32-30(23-12-9-8-10-13-23)38(24-15-17-25(46-4)18-16-24)34(49-22(2)41)37(32,45)31-27(48-6)20-26(47-5)21-28(31)50-38/h8-10,12-13,15-18,20-21,29-30,32,34,44-45H,7,11,14,19H2,1-6H3,(H,39,43)/t29-,30+,32-,34+,36+,37-,38-/m0/s1

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InChIKey: ZNVMTRFRMHAFBX-REAKOCMFSA-N

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Source

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

Properties Information

Molecule Weight: 688.7740000000001

TPSA？: 156.57999999999998

MolLogP？: 4.599200000000005

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens MOLT-4 Activity None None 10.1021/np990454d
Mus musculus P388 Activity None None 10.1021/np990454d

Metabolism Information