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name Structure Reference Source Properties Activities Metabolism

methyl (1R,12R,19R)-5-hydroxy-12-[(1S)-1-[(3-methylbut-2-enoyl)oxy]ethyl]-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9-tetraene-10-carboxylate

AlkaPlorer ID: AK193639

Synonym: None

IUPAC Name: methyl (1R,12R,19R)-5-hydroxy-12-[(1S)-1-(3-methylbut-2-enoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,9-tetraene-10-carboxylate

Structure

SMILES: COC(=O)C1=C2NC3=CC(O)=CC=C3[C@@]23CCN2CCC[C@@]([C@H](C)OC(=O)C=C(C)C)(C1)[C@H]23

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InChI: InChI=1S/C26H32N2O5/c1-15(2)12-21(30)33-16(3)25-8-5-10-28-11-9-26(24(25)28)19-7-6-17(29)13-20(19)27-22(26)18(14-25)23(31)32-4/h6-7,12-13,16,24,27,29H,5,8-11,14H2,1-4H3/t16-,24-,25-,26-/m0/s1

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InChIKey: VYYBPXAJIJHIAS-FKGGDUTASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Alstonia mairei Alstonia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 452.55100000000033

TPSA？: 88.1

MolLogP？: 3.638700000000002

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information