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name Structure Reference Source Properties Activities Metabolism

(1S,11R,12R)-1-hydroxy-21-methoxy-12-(4-methoxyphenyl)-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]docosa-2(10),3,14(22),15,20-pentaen-9-one

AlkaPlorer ID: AK239288

Synonym: None

IUPAC Name: (1S,11R,12R)-1-hydroxy-21-methoxy-12-(4-methoxyphenyl)-11-phenyl-13,17,19-trioxa-3,8-diazahexacyclo[10.10.0.02,10.04,8.014,22.016,20]docosa-2(10),3,14,16(20),21-pentaen-9-one

Structure

SMILES: COC1=CC=C([C@@]23OC4=CC5=C(OCO5)C(OC)=C4[C@]2(O)C2=C(C(=O)N4CCCC4=N2)[C@H]3C2=CC=CC=C2)C=C1

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InChI: InChI=1S/C31H26N2O7/c1-36-19-12-10-18(11-13-19)31-24(17-7-4-3-5-8-17)23-28(32-22-9-6-14-33(22)29(23)34)30(31,35)25-20(40-31)15-21-26(27(25)37-2)39-16-38-21/h3-5,7-8,10-13,15,24,35H,6,9,14,16H2,1-2H3/t24-,30+,31+/m1/s1

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InChIKey: FESMFICXVFCFJD-GTTXMTDLSA-N

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Source

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

Properties Information

Molecule Weight: 538.5560000000004

TPSA？: 101.27000000000002

MolLogP？: 3.604700000000002

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information