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name Structure Reference Source Properties Activities Metabolism

methyl 4-hydroxy-3-(4-{[(5S)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁶,²¹]docosa-1(14),3,9,11,15,21-hexaen-5-yl]methyl}phenoxy)benzoate

AlkaPlorer ID: AK252014

Synonym: None

IUPAC Name: methyl 4-hydroxy-3-[4-[[(5S)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,9,11,15,21-hexaen-5-yl]methyl]phenoxy]benzoate

Structure

SMILES: COC(=O)C1=CC=C(O)C(OC2=CC=C(C[C@H]3C4=C5OC6=CC7=C(C=C6OC5=C(OC)C=C4CCN3C)CCN(C)C7=O)C=C2)=C1

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InChI: InChI=1S/C36H34N2O8/c1-37-13-12-22-17-31(42-3)33-34(46-30-19-25-21(16-29(30)45-33)11-14-38(2)35(25)40)32(22)26(37)15-20-5-8-24(9-6-20)44-28-18-23(36(41)43-4)7-10-27(28)39/h5-10,16-19,26,39H,11-15H2,1-4H3/t26-/m0/s1

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InChIKey: VNHMZLWCKKBUPX-SANMLTNESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Berberis lycium Berberis Berberidaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 622.6740000000002

TPSA？: 107.0

MolLogP？: 6.277500000000006

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information