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name Structure Reference Source Properties Activities Metabolism

methyl (1R,12R,19R)-5-hydroxy-12-[(1S)-1-(3,4,5-trimethoxybenzoyloxy)ethyl]-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9-tetraene-10-carboxylate

AlkaPlorer ID: AK253742

Synonym: None

IUPAC Name: methyl (1R,12R,19R)-5-hydroxy-12-[(1S)-1-(3,4,5-trimethoxybenzoyl)oxyethyl]-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)C4=CC(OC)=C(OC)C(OC)=C4)(C1)[C@H]23

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InChI: InChI=1S/C31H36N2O8/c1-17(41-27(35)18-13-23(37-2)25(39-4)24(14-18)38-3)30-9-6-11-33-12-10-31(29(30)33)21-8-7-19(34)15-22(21)32-26(31)20(16-30)28(36)40-5/h7-8,13-15,17,29,32,34H,6,9-12,16H2,1-5H3/t17-,29-,30-,31-/m0/s1

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InChIKey: JQUVGUHLGZBUJY-FBUPQTTDSA-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: 564.6350000000003

TPSA？: 115.79

MolLogP？: 4.012100000000003

Number of H-Donors: 2

Number of H-Acceptors: 10

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information