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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK233899

Synonym: None

IUPAC Name: methyl (1R,12R,19R)-12-[(1S)-1-acetyloxyethyl]-5-hydroxy-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(C)=O)(C1)[C@H]23

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InChI: InChI=1S/C23H28N2O5/c1-13(30-14(2)26)22-7-4-9-25-10-8-23(21(22)25)17-6-5-15(27)11-18(17)24-19(23)16(12-22)20(28)29-3/h5-6,11,13,21,24,27H,4,7-10,12H2,1-3H3/t13-,21-,22-,23-/m0/s1

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InChIKey: KINNGRYIALGMHS-KPKLNDEZSA-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: 412.4860000000003

TPSA？: 88.1

MolLogP？: 2.692400000000001

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